data_6a3z_residue ############################ # Computer software used # ############################ 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 6a3z _Structure_validation_residue.Date_analyzed 2019-06-14 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 ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.823 0.344 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 159.94 32.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 111.186 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -25.96 27.98 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -77.35 -38.93 49.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.36 -41.74 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.59 7.1 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptm -150.42 33.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' ASN . 29.6 m-20 62.39 8.12 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p-10 34.31 36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' ASP . 2.7 t -118.15 127.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.3 t -68.96 116.64 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -66.07 -46.54 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.543 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 17.6 mt -33.85 -49.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -115.76 -3.29 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 20.7 mtm-85 49.26 62.4 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -122.2 -94.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.75 151.25 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.1 mtm -130.13 100.7 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.63 -28.54 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -175.23 139.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.45 50.24 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.12 164.66 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -112.95 -178.06 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -130.15 130.21 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.36 152.73 61.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.79 3.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -106.3 -0.2 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.7 t-20 82.81 48.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 34.0 m80 -148.04 109.4 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 33' ' ' PHE . 6.9 mt -94.53 140.74 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 14' ' ' ILE . 56.3 m-85 -149.86 154.15 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -42.3 137.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -66.17 -17.96 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -94.0 -32.06 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 90.4 m -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.94 -66.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -48.19 -25.8 1.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -92.77 -26.27 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -77.39 -44.04 30.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.0 -20.23 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -9.14 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -134.33 -34.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -128.97 103.91 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 50.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.9 141.84 21.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.467 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -48.07 138.73 10.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.82 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.33 3.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 15.4 t -134.91 -51.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' THR . 5.0 p -99.67 -2.62 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER 34.27 42.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.3 ttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -87.89 155.64 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.92 29.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.06 -41.68 58.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.72 -31.43 57.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.25 -49.69 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -12.51 61.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.69 -4.93 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.3 ptm -136.46 28.67 3.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' MET . 29.3 t0 76.04 -6.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.3 p-10 39.94 33.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.35 127.67 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.7 t -68.86 116.47 9.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -66.08 -46.37 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.5 mt -33.93 -50.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.7 -3.58 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . 19.7 mtm180 49.52 62.35 2.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -122.84 -94.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -170.24 150.99 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 mtm -128.12 88.56 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.15 -31.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -170.22 147.94 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.13 56.3 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.32 162.12 40.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 2.2 mmmt -113.61 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.71 134.54 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.3 153.38 48.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 0.77 5.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.204 . . . . 0.0 112.388 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 5.0 p -106.59 0.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 t-20 82.74 52.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.4 m80 -152.08 114.02 4.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.756 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 33' ' ' PHE . 5.9 mt -98.85 142.39 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 14' ' ' ILE . 58.5 m-85 -149.67 155.24 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -44.13 132.66 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 m -61.57 -17.13 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 96.2 m -72.75 -28.61 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -72.63 -55.72 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -30.25 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -88.38 -22.52 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.3 -42.5 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -74.88 -17.59 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -32.39 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -115.58 -25.33 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.93 173.69 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -143.63 38.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -150.86 148.25 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.05 138.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.465 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.74 1.72 4.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 13.9 t -134.5 -51.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 2.5 p -97.29 -4.45 38.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' C ' ' CG2' ' A' ' 47' ' ' THR . 0.1 OUTLIER 34.15 63.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.423 ' N ' HG22 ' A' ' 47' ' ' THR . 16.6 ttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.405 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -93.17 164.76 20.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.711 . . . . 0.0 111.158 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.9 Cg_endo -69.71 -43.47 2.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.68 -44.27 93.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -35.0 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.42 -45.47 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -4.06 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.75 11.91 33.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.7 ptm -152.83 25.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' MET . 14.3 t0 78.64 -9.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 39.41 34.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.42 127.61 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.9 t -69.38 116.59 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -66.67 -46.47 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.54 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.5 mt -33.84 -48.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -117.2 -3.35 11.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 17.7 mtm180 49.34 62.41 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -122.14 -94.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.12 148.01 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.7 mtm -124.45 95.79 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.04 -25.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 t -177.03 152.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.24 50.39 4.84 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.33 42.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.5 mmtp -109.53 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -123.05 146.86 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.27 153.39 37.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 1.43 4.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.271 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.14 0.61 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 3.5 t-20 82.61 52.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.8 m80 -151.2 109.33 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 33' ' ' PHE . 7.2 mt -95.43 138.02 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 58.2 m-85 -145.1 149.64 35.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -38.92 137.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 m -69.49 -17.78 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -94.8 -22.19 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 84.7 m -84.71 -32.65 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.22 -38.31 72.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 31.4 ptt180 -60.78 -50.39 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -18.82 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 37.1 t-105 -77.95 -49.13 14.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -75.82 -15.57 60.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.49 -28.12 63.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -124.21 -20.53 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -113.67 164.01 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -135.2 26.81 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.55 161.48 35.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -65.88 138.26 96.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.7 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 12.4 t -136.12 -50.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.8 p -97.44 -3.16 40.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 2.1 ttp180 34.43 47.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.921 0.391 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.89 160.6 79.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.526 0.679 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.83 29.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -55.39 4.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.85 -26.07 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.16 -55.12 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.15 7.94 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -151.49 28.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' ASN . 6.0 t0 75.14 -5.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 36.55 34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' HE2' ' A' ' 20' ' ' MET . 3.2 t -118.75 129.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.6 t -68.22 115.63 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.68 -46.5 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.6 mt -34.04 -50.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -115.75 -1.03 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 15.9 mtm180 47.36 60.84 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.04 -94.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.24 147.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 25.6 mtm -128.67 96.22 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.64 -21.59 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t 174.65 -27.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.34 54.15 2.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.562 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.57 161.11 43.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.55 -177.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -125.16 139.07 54.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 56.3 mt -94.64 153.41 40.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.86 3.14 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.16 2.89 19.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.1 t-20 82.59 53.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 38.5 m80 -152.05 114.67 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 33' ' ' PHE . 6.1 mt -94.46 136.32 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 61.2 m-85 -147.33 146.65 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 26.9 m170 -39.74 141.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -70.94 -19.59 62.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -92.44 -28.93 16.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 98.8 m -79.88 -30.23 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.43 -48.3 42.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -59.55 -33.72 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.52 -27.49 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.543 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 30.1 t-105 -70.96 -43.16 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.23 -15.27 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -28.75 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 4.9 mtm180 -115.43 -28.24 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 44' ' ' ARG . 1.7 mp0 -122.32 -173.79 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -148.06 14.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.73 151.03 35.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -58.24 138.13 84.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 110.88 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.543 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.3 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 11.6 t -134.36 -50.39 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 8.4 p -100.34 -3.49 31.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' CYS . 29.7 mtt-85 34.53 61.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 tmm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.24 160.12 65.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -29.02 24.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.6 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -71.07 -34.66 71.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.42 -50.99 57.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -5.31 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 12.19 29.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -154.09 27.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.1 t0 78.33 -9.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 37.68 35.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.62 127.46 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -70.14 117.31 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -66.63 -46.55 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 15.8 mt -34.07 -48.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.33 -3.24 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 50.9 mtm-85 48.54 62.79 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -123.83 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.24 151.16 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mtm -126.85 93.17 3.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.92 -28.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.7 t -170.21 157.89 6.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 57.37 4.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.04 44.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -111.69 -179.31 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -130.97 135.48 47.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.2 153.23 46.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.39 3.61 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -106.55 0.0 24.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 6.6 t-20 82.82 45.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.1 m80 -144.54 109.4 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 33' ' ' PHE . 4.4 mt -97.6 140.45 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 14' ' ' ILE . 50.4 m-85 -147.57 156.46 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -45.4 138.33 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -64.58 -19.66 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -92.66 -38.98 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 96.7 m -67.83 -24.84 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.89 -55.39 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -54.31 -25.44 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.47 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -77.43 -43.07 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -69.01 -10.05 55.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.75 -38.67 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -126.2 -11.43 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -139.14 94.98 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' N ' ' OE1' ' A' ' 46' ' ' GLN . 1.9 pm0 -74.84 4.86 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -98.9 146.89 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.461 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -52.19 139.46 35.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 53.1 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 8.9 t -134.03 -52.34 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 4.4 p -97.63 -3.77 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER 33.85 44.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 36.5 ttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.51 161.53 78.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 111.078 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -36.22 10.87 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.239 . . . . 0.0 112.275 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -46.23 81.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.19 -27.94 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -75.15 -58.27 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.45 -6.73 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 16.48 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -159.9 31.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER 76.35 -6.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 36.64 31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.9 t -120.03 129.14 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -66.75 114.82 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.568 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.4 -46.52 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.6 mt -33.67 -50.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.16 -0.13 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . 3.6 mtt-85 47.5 59.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -115.3 -94.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.59 147.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.422 ' SD ' ' CB ' ' A' ' 24' ' ' ALA . 25.3 mtm -127.65 101.5 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.02 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -179.66 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.56 59.68 2.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.61 159.75 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -109.89 176.27 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -120.07 143.61 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.99 153.34 37.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.48 3.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.329 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.84 2.47 19.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 28.5 t30 82.75 52.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.3 m80 -152.22 113.4 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 33' ' ' PHE . 5.2 mt -94.5 136.58 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.3 m-85 -146.89 153.53 40.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -44.39 140.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -69.91 -17.5 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.0 p -94.82 -29.87 14.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 94.7 m -78.39 -32.67 48.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.46 -56.84 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -59.32 -25.16 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 m -91.88 -22.25 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -78.82 -48.4 14.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -45.3 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -118.64 -16.46 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.0 173.5 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -148.65 39.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.77 143.74 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 138.17 43.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.695 0.76 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.73 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 11.3 t -135.26 -50.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 4.9 p -99.94 -3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER 34.67 46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.3 ttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.41 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -101.5 165.06 14.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 54.2 Cg_endo -69.75 -24.94 29.18 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -47.16 51.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -77.92 -23.79 48.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.6 mt -75.08 -49.28 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -10.54 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.3 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' CE ' ' A' ' 9' ' ' MET . 1.1 ptm -154.43 27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t0 75.54 -4.94 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.8 p-10 40.61 33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.74 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.9 t -66.35 114.28 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.03 -46.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.535 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.1 mt -33.86 -53.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.35 -4.07 14.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.9 mtm-85 51.25 61.96 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -121.22 -94.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.2 150.96 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.1 mtm -128.07 100.23 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.58 -22.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.24 161.39 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 54.96 8.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.5 159.26 43.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -109.46 -179.77 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -130.64 123.98 30.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -79.03 153.34 77.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.9 p -106.56 -0.35 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 2.4 t30 82.83 43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 37.7 m80 -142.46 111.04 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -96.44 142.19 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 14' ' ' ILE . 52.7 m-85 -149.89 153.69 37.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -41.92 132.35 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 m -62.05 -18.36 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -93.37 -34.19 13.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 78.5 m -74.61 -24.57 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 42' ' ' PHE . 15.4 mt -77.22 -48.24 18.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -64.71 -25.92 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 -20.5 19.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 8.5 t-105 -86.79 -52.4 5.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 38' ' ' LEU . 24.9 m-85 -66.71 -8.86 30.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -45.14 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -126.76 -10.57 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.511 ' HG2' ' CD2' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -76.01 -75.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.1 OUTLIER 82.82 20.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -156.86 128.11 6.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -34.28 136.61 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.4 Cg_endo -69.76 2.95 3.07 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.492 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 14.9 t -136.03 -51.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.5 p -97.15 -2.7 42.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' ARG . 1.9 mpt_? 34.13 64.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.4 ttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.48 157.65 89.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.36 28.49 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.98 -44.75 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -69.06 -30.69 69.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.26 -47.43 50.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -3.32 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.3 14.64 28.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.462 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.4 ptm -156.23 27.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 9' ' ' MET . 5.6 t0 80.4 -11.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.2 p-10 43.89 30.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.79 129.04 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.7 t -64.74 113.65 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.92 -46.6 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.0 mt -33.88 -51.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.19 0.42 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 47.4 59.25 4.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -114.97 -94.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.28 147.66 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' CB ' ' A' ' 24' ' ' ALA . 17.7 mtm -126.5 105.82 9.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.2 -22.62 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 t 174.97 -27.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.45 52.25 2.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.445 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.67 155.49 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' CG ' HG21 ' A' ' 35' ' ' THR . 4.0 mmtt -109.44 -178.94 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -119.37 142.94 47.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.85 153.42 38.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 2.82 3.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.72 2.6 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 16.0 t30 82.86 52.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.2 m80 -152.63 117.16 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 33' ' ' PHE . 4.2 mt -98.61 136.41 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 51.7 m-85 -147.63 163.6 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -55.74 140.75 40.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.96 -26.23 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -85.69 -34.13 21.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 97.7 m -73.09 -36.28 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 mt -67.65 -57.51 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -58.7 -27.38 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 m -90.48 -24.82 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -78.36 -41.75 32.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.0 -17.59 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -9.96 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 1.9 mtt-85 -134.54 -34.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -131.15 104.64 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.67 47.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -145.97 143.36 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -51.98 136.69 37.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.69 . . . . 0.0 110.881 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.87 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -132.02 -51.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' N ' HG21 ' A' ' 50' ' ' THR . 13.8 p -101.95 -3.68 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER 33.88 55.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.52 158.66 33.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.69 23.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.38 -44.85 50.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.42 -32.38 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' C ' ' HB3' ' A' ' 11' ' ' ASN . 17.6 mt -68.6 -54.59 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -5.21 12.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.21 10.19 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -152.82 27.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.7 t0 80.57 -13.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 41.91 35.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' C ' ' HE2' ' A' ' 20' ' ' MET . 4.2 t -120.03 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.2 t -67.31 115.16 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -65.67 -46.6 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.143 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 17.3 mt -34.16 -50.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.22 -1.56 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . 44.8 mtm-85 48.04 61.25 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -119.3 -94.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.27 148.07 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 12' ' ' VAL . 22.5 mtm -125.25 105.47 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.19 -26.65 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t 177.24 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.17 55.96 2.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.69 158.64 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.058 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' CG ' HG22 ' A' ' 35' ' ' THR . 2.8 mmmt -109.38 178.25 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -121.14 141.52 50.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.19 153.43 38.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.91 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.68 2.22 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.4 t30 82.62 52.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.6 m80 -151.58 113.37 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 33' ' ' PHE . 42.3 mt -94.56 135.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 52.9 m-85 -146.71 148.04 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -40.17 142.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 ' CG ' ' A' ' 25' ' ' LYS . 2.0 m -73.63 -18.53 61.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.459 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 28.7 p -94.47 -22.83 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 91.2 m -83.09 -33.41 26.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.65 -39.8 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 24.0 ptt180 -59.96 -50.08 75.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -77.95 -18.64 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.513 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 31.3 t-105 -77.63 -50.09 13.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -76.4 -22.27 54.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -26.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -124.59 -23.0 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -113.01 168.22 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.08 31.75 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.44 164.47 29.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.32 138.08 81.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 13.7 t -135.08 -51.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 50' ' ' THR . 12.3 p -101.35 -0.57 35.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' CYS . 22.9 mtp180 34.33 45.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 51' ' ' CYS . 1.6 ppp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.98 159.38 32.79 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.75 27.18 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -80.27 -46.82 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.62 -30.89 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' CD2' ' OD1' ' A' ' 11' ' ' ASN . 11.9 mt -67.03 -54.13 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -2.31 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.96 7.83 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -147.2 24.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' MET . 7.4 t0 83.09 -19.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 10.8 t30 46.9 20.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.8 119.07 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.5 t -63.24 115.42 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.538 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.84 -47.01 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.166 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.538 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 21.0 mt -34.97 -53.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.84 -3.29 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 57.5 mtm-85 48.43 63.01 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -129.08 -95.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 1.0 OUTLIER -165.06 152.66 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 64.1 mtm -126.17 58.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -36.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 t -168.66 164.98 12.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.64 3.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.6 159.23 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.95 177.06 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.414 ' NH2' HD13 ' A' ' 32' ' ' ILE . 39.1 ttm-85 -125.52 150.2 47.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.6 mt -102.79 153.36 38.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.86 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -108.06 1.64 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 29.0 t30 82.75 52.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.9 m80 -151.65 120.18 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 33' ' ' PHE . 95.8 mt -101.94 138.35 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 53.0 m-85 -147.96 142.6 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 23.2 m170 -37.04 143.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 m -73.37 -18.81 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 -20.34 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 93.1 m -86.58 -26.85 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.05 -39.13 56.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -58.74 -50.24 74.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -17.57 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 50.7 t-105 -77.97 -55.26 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -70.51 -15.95 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -32.0 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -124.2 -18.95 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -111.64 165.36 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -138.03 15.82 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -129.02 147.31 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.468 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -51.52 137.68 31.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 13.6 t -133.24 -51.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.181 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.5 ' N ' ' CG2' ' A' ' 50' ' ' THR . 12.6 p -101.79 -3.28 28.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 39.4 mtt-85 34.17 64.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.1 ttp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.451 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -114.75 166.79 10.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.2 Cg_endo -69.8 -24.76 29.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.733 2.288 . . . . 0.0 112.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.87 -48.06 33.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.08 -32.29 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.96 -42.31 90.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -19.31 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.37 7.85 10.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ptm -152.51 33.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' ASN . 50.3 m-20 62.43 8.06 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.2 p-10 34.39 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.3 t -117.98 126.29 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -69.57 116.15 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.4 -46.61 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.542 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 21.2 mt -33.85 -53.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.227 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.47 -3.09 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 48.23 63.15 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -124.09 -94.61 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -169.66 152.26 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -128.74 105.37 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.12 -19.68 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t 176.55 155.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.09 4.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.18 160.52 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -109.69 -178.91 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 16.4 ttp-105 -129.72 133.55 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.0 mt -87.29 153.35 53.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.696 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 2.93 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.4 p -106.31 1.23 25.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 8.5 t-20 82.81 48.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.8 m80 -147.66 120.27 8.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 33' ' ' PHE . 3.6 mt -104.16 140.87 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 14' ' ' ILE . 45.2 m-85 -148.68 154.52 39.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -41.66 139.63 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -67.67 -16.83 64.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.2 p -94.83 -35.85 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 91.6 m -69.77 -37.24 76.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.47 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -50.23 -35.3 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 m -81.37 -23.63 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -79.32 -51.53 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -34.86 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -120.39 -22.61 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -108.46 175.77 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -148.8 39.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.86 146.19 24.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.47 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -52.82 135.67 46.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.74 2.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.622 2.215 . . . . 0.0 112.386 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 6.3 t -132.89 -46.58 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.479 ' N ' ' CG2' ' A' ' 50' ' ' THR . 11.9 p -108.62 -1.37 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 4.9 mpt_? 35.09 58.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.4 mtp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.45 159.26 67.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 -40.64 4.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.35 -32.11 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 26' ' ' ARG . 5.0 mm-40 -84.51 -33.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' ASN . 9.7 mt -71.58 -39.5 70.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -22.16 63.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.31 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 ptm -140.52 34.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 62.49 7.98 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.9 p-10 34.25 37.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ASP . 2.8 t -117.35 124.86 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.7 t -67.75 116.58 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.98 -46.54 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.2 mt -34.96 -50.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.162 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.19 -2.6 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 4.8 mtm180 47.42 63.31 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -125.47 -94.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -168.13 153.5 6.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 40.8 mtm -130.61 107.92 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.95 -23.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -172.24 176.02 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.48 58.17 14.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.51 161.03 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -109.39 -176.2 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 5' ' ' GLU . 46.5 ttp180 -136.01 120.67 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.3 153.44 86.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.14 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.296 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -107.39 5.46 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 81.86 16.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.4 m80 -112.32 109.62 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 33' ' ' PHE . 3.4 mt -95.12 143.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 14' ' ' ILE . 55.5 m-85 -149.92 162.73 39.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.56 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 24.8 m170 -52.81 139.68 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m -69.22 -17.94 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.463 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 3.8 m -94.79 -24.12 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 92.5 m -82.79 -32.54 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.62 -38.57 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 30.5 ptt85 -61.72 -49.72 75.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 t -78.12 -18.49 55.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 55.6 t-105 -81.69 -39.71 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -71.42 -10.67 60.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.77 -35.96 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -126.52 -10.76 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.09 90.52 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.64 9.89 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.71 141.23 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB3' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -42.28 135.92 2.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.8 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.748 2.299 . . . . 0.0 112.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.3 t -135.96 -47.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.551 ' N ' ' CG2' ' A' ' 50' ' ' THR . 1.3 p -102.72 -1.68 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' C ' ' CG2' ' A' ' 47' ' ' THR . 0.9 OUTLIER 33.66 64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -73.41 151.59 89.73 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.28 27.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -23.63 58.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -91.99 -38.78 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.07 -44.15 96.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -14.71 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 10.35 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.4 ptm -148.25 25.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 73.07 -2.71 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 37.18 35.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.52 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 50.7 t -69.32 116.99 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.55 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -66.18 -46.4 87.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.55 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 13.8 mt -33.84 -49.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 p -115.96 -3.39 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 49.17 62.71 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -123.18 -94.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.4 153.43 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 34.3 mtm -130.94 99.24 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -96.96 -22.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.07 156.07 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 42.87 7.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.58 161.75 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 3.4 mmmt -110.2 -177.03 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -126.4 139.12 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 mt -93.73 153.32 41.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.42 4.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 112.321 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.7 p -106.71 1.26 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.3 t-20 82.75 51.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 34.5 m170 -151.16 128.88 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 25' ' ' LYS . 6.4 mt -109.69 137.25 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 34.4 m-85 -144.75 150.59 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -39.65 134.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -62.49 -16.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -37.39 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 94.3 m -67.66 -35.37 78.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.78 -58.49 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -56.36 -28.01 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -87.89 -26.76 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -48.58 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.37 -14.6 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -38.52 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 -26.12 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.39 175.89 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -148.5 32.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -140.6 132.87 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 1.9 t -40.28 134.53 1.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.2 t -127.03 -47.1 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.549 ' N ' ' CG2' ' A' ' 50' ' ' THR . 18.4 p -110.55 -4.5 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 10.0 mtm180 34.1 59.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 161.62 24.52 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.575 0.703 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.38 20.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.07 -48.7 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.57 -34.06 71.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.5 -50.56 66.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.96 -3.24 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.99 4.55 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 4.8 ptm -146.77 27.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' ASN . 6.4 t0 76.84 -3.03 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.4 p-10 36.77 37.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.86 127.5 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 38.1 t -62.54 112.49 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.41 -46.61 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.527 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 17.7 mt -35.03 -53.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.79 0.74 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 46.81 59.07 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.47 -94.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.47 151.78 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.422 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 32.8 mtm -130.89 100.26 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.86 -24.06 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t 178.37 139.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.43 53.91 1.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.21 162.47 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' CG ' HG21 ' A' ' 35' ' ' THR . 5.5 mmtt -109.39 -175.4 2.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -131.69 134.67 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.3 153.35 51.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.729 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 9.2 p -109.66 4.85 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.0 t-20 82.67 29.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 23.8 m170 -123.69 110.25 14.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 7.5 mt -98.92 132.65 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 19.0 m-85 -144.65 166.55 24.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 32.7 m170 -51.2 139.95 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.433 HG21 ' CG ' ' A' ' 25' ' ' LYS . 3.0 m -68.34 -20.08 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -91.34 -33.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 72.5 m -70.02 -37.44 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.4 -52.26 41.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -58.82 -33.84 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t -87.76 -25.35 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -72.05 -47.61 50.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.97 -16.54 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -28.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -111.69 -32.58 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -108.96 -169.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.45 18.36 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.48 -177.8 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.78 134.27 34.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.6 Cg_endo -69.7 64.74 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.495 ' CG2' ' C ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.74 -66.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.63 -20.19 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.07 45.37 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 ppp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.927 0.394 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.8 164.67 38.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.649 0.738 . . . . 0.0 111.089 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -24.92 29.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 -49.6 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.22 -35.76 78.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.41 -50.76 64.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -11.26 58.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.35 12.55 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -153.39 25.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 9' ' ' MET . 10.0 t0 79.31 -9.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.5 p-10 43.07 32.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.99 129.07 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.5 t -62.99 111.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.24 -46.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.533 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 19.0 mt -34.14 -54.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' SG ' ' CD ' ' A' ' 18' ' ' GLU . 27.2 p -111.54 -1.73 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 53.3 mtm-85 50.17 59.75 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 81.5 mt-10 -115.68 -94.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -172.96 148.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.9 mtm -128.38 99.92 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 m -101.61 -19.67 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t 177.1 139.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 56.59 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.27 39.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -109.48 173.87 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -126.17 132.86 51.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 96.8 mt -88.18 153.39 51.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.608 2.205 . . . . 0.0 112.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 7.2 p -106.09 1.12 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 7.0 t-20 82.68 45.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 36.0 m80 -142.51 119.67 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.5 mt -108.12 141.92 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 32.9 m-85 -149.89 163.94 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -53.01 128.99 29.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 82.2 m -56.74 -16.65 6.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.91 -36.95 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 41' ' ' TRP . 83.8 m -68.15 -27.35 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 22.9 mt -80.43 -38.74 29.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 35' ' ' THR . 12.1 mmm-85 -60.09 -41.28 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -39.43 17.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 11.9 t-105 -62.66 -43.7 98.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 38' ' ' LEU . 12.6 m-85 -66.76 -20.09 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -88.71 -8.72 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -126.83 -10.64 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 41' ' ' TRP . 31.7 mm-40 -125.5 -64.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER 83.2 20.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -154.24 136.71 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -34.12 134.56 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.1 Cg_endo -69.83 3.49 2.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 9.8 t -132.13 -53.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.0 p -100.81 -2.73 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' CYS . 2.6 mmt-85 33.81 71.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.47 ' N ' HG21 ' A' ' 47' ' ' THR . 11.5 mtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.52 162.61 22.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.58 29.46 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -73.72 -50.04 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 -45.07 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.96 -29.76 57.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.47 30.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.65 16.75 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -154.06 20.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER 82.88 -6.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 42.32 26.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.54 129.64 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.8 t -65.32 113.57 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -64.34 -46.34 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.8 mt -33.99 -53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.16 0.76 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.4 mtm-85 47.32 58.62 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -113.36 -94.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.72 148.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 24' ' ' ALA . 25.5 mtm -130.33 100.92 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -23.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.7 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.04 56.24 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.68 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 2.6 mmmt -109.41 -175.73 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -125.88 137.03 53.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.3 mt -92.22 153.46 43.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.81 3.28 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER 82.82 53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.0 m80 -153.2 123.4 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 33' ' ' PHE . 5.1 mt -100.21 135.76 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 58.0 m-85 -146.73 154.64 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -46.75 139.57 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -67.01 -17.14 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.8 -33.38 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 95.4 m -74.73 -26.92 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.79 -50.92 13.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -65.71 -25.7 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.9 m -90.88 -24.16 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -78.07 -45.04 24.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.94 -16.54 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.05 -34.86 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.82 -13.73 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -130.49 -179.99 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -153.58 26.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.37 128.13 23.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.14 133.58 0.92 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.52 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 4.4 t -128.44 -47.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.133 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.52 ' N ' ' CG2' ' A' ' 50' ' ' THR . 16.4 p -107.77 -4.96 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.6 mmt180 33.62 55.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 mtp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.0 p -67.83 152.69 96.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.23 -34.19 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -79.54 -37.28 36.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.37 -53.68 44.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -7.25 17.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.24 16.93 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.475 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -159.85 29.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 81.13 -14.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 42.4 31.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' C ' ' HE1' ' A' ' 20' ' ' MET . 2.6 t -117.72 126.92 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.1 t -65.39 114.68 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.548 HG21 ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -65.63 -46.7 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.0 mt -34.54 -51.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.09 -2.22 13.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 48.62 61.74 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -121.75 -94.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.14 147.87 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.491 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 29.6 mtm -124.35 102.76 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.42 -22.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -179.53 163.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.5 52.22 10.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.04 161.42 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -109.43 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -130.91 129.93 42.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.83 153.19 60.48 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.618 0.723 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 2.75 3.19 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -105.23 -0.71 26.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.534 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 7.4 t30 82.77 50.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.6 m80 -149.6 116.28 5.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 33' ' ' PHE . 4.3 mt -102.03 143.86 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 40.1 m-85 -149.92 153.47 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.491 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 30.0 m170 -47.36 129.94 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -58.1 -29.93 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -80.27 -36.92 33.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 89.1 m -70.49 -29.59 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.43 -38.89 74.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 6.3 mmm-85 -64.72 -48.98 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -77.5 -13.84 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 58.1 t-105 -87.82 -43.62 11.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.95 -6.8 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -37.47 83.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -126.58 -10.7 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.82 90.0 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -80.13 43.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -156.7 148.36 22.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -47.17 134.17 9.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.5 Cg_endo -69.66 2.98 3.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 12.3 t -133.66 -50.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.175 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.7 p -96.93 -5.21 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' CYS . 45.1 mtm-85 34.1 59.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.467 ' N ' HG21 ' A' ' 47' ' ' THR . 34.8 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.46 159.6 63.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.29 20.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.612 2.208 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -71.23 -34.42 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG3' ' NH1' ' A' ' 26' ' ' ARG . 45.3 mm-40 -83.04 -33.55 26.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.38 -56.63 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -2.83 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.94 14.15 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -157.11 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 75.1 -5.17 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 35.04 33.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.9 t -119.82 128.49 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.2 t -63.89 113.13 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.56 -46.63 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 13.5 mt -33.91 -52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.77 0.71 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 47.41 59.11 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -114.57 -94.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.58 148.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.42 ' HE3' ' C ' ' A' ' 12' ' ' VAL . 15.6 mtm -128.74 104.97 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.82 -22.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.74 -27.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.37 50.93 2.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.57 159.1 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.44 -176.98 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 5' ' ' GLU . 38.9 ttp180 -123.74 136.75 54.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 153.57 45.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 3.03 2.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.733 2.289 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -114.42 18.99 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.553 ' N ' ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER 67.42 48.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.7 m80 -144.67 109.6 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 4.4 mt -94.53 137.71 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 14' ' ' ILE . 45.6 m-85 -149.58 164.89 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -57.52 139.47 53.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -66.18 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -34.23 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.788 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 98.1 m -73.38 -35.48 65.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -67.32 -64.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -50.73 -31.88 17.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -86.26 -28.34 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -73.76 -40.79 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.37 -14.31 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -15.69 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -127.95 -29.42 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 102.59 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.54 60.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -162.21 155.92 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.467 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -60.79 138.4 93.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 51' ' ' CYS . 9.9 t -132.63 -52.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.8 p -100.18 -3.58 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 4.6 mmm-85 34.43 63.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 tmm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.15 162.22 52.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -75.96 -34.64 59.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' CD2' ' OD1' ' A' ' 11' ' ' ASN . 11.5 mt -66.45 -55.91 13.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -2.68 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.66 16.99 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -157.01 26.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.5 t70 83.43 -21.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.501 ' OD1' ' CD2' ' A' ' 6' ' ' LEU . 11.4 t30 47.54 22.81 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 120.47 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' ARG . 31.9 t -62.84 115.15 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.14 -46.8 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.4 mt -36.92 -52.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -109.6 -0.8 18.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 44.69 63.05 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -128.42 -95.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.37 152.63 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 74.8 mtm -128.81 56.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -33.38 -37.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.1 t -179.67 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 22' ' ' THR . . . -72.08 64.9 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.72 161.8 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' CG ' ' CG2' ' A' ' 35' ' ' THR . 5.7 mmtt -109.29 165.8 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -112.02 144.96 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 75.0 mt -101.45 154.0 37.51 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.6 3.57 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 32.9 t30 82.97 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 31.4 m170 -147.98 115.8 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 33' ' ' PHE . 4.6 mt -94.41 135.82 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.7 m-85 -147.94 148.17 30.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.7 m170 -44.04 141.13 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.432 ' CG2' ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -69.71 -24.09 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.9 p -87.99 -30.25 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 93.3 m -75.62 -41.3 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 34.0 mt -64.16 -62.77 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -48.4 -26.51 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -94.27 -19.98 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' LEU . 42.8 t-105 -82.75 -47.21 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 28.0 m-85 -66.65 -18.76 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.42 -9.57 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.16 -34.34 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -130.52 104.37 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.23 46.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -144.17 125.7 14.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -34.79 136.39 0.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.37 2.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 15.2 t -131.05 -51.45 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' THR . 17.1 p -103.84 -3.06 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 7.0 mpt_? 34.12 39.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 53' ' ' MET . 44.1 ttp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.36 161.06 55.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -26.63 27.77 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.76 2.307 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -80.55 -46.54 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -69.98 -29.58 66.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.46 -61.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -8.41 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -93.31 16.72 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -158.47 30.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 8.7 t0 83.01 -19.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 39.64 34.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' HE2' ' A' ' 20' ' ' MET . 2.8 t -120.46 122.7 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -64.91 115.5 5.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -65.11 -46.52 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.544 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 19.5 mt -35.72 -53.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.8 -3.92 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' CYS . 13.2 mtm180 48.64 62.86 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -127.49 -95.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.42 152.57 20.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.421 ' HE2' ' C ' ' A' ' 12' ' ' VAL . 24.9 mtm -132.72 105.9 7.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.0 -47.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -122.26 176.92 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' THR . . . 34.04 68.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 144.7 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 4.9 mmtt -109.3 177.12 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -130.38 111.98 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.45 153.44 90.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.86 3.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.3 p -106.46 0.05 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.8 t30 82.85 52.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.5 m80 -152.86 116.09 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 33' ' ' PHE . 8.3 mt -94.52 143.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 49' ' ' PRO . 56.0 m-85 -148.96 142.83 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLU . 22.9 m170 -43.97 131.58 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -57.21 -19.77 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -93.01 -42.13 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 78.0 m -67.95 -21.31 65.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 33' ' ' PHE . 22.9 mt -77.45 -59.18 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.36 -21.16 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.421 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 2.5 t -93.4 -21.95 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -81.5 -52.44 7.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.7 -15.26 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -26.65 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 40' ' ' SER . 45.9 mtt85 -123.95 -26.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 177.4 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -144.98 27.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.26 145.47 45.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -48.39 137.51 11.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 11.5 t -135.93 -49.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.7 p -99.12 -3.29 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' C ' ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER 34.45 62.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.2 tmm? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.823 0.344 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 159.94 32.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 111.186 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -25.96 27.98 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -77.35 -38.93 49.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.36 -41.74 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.59 7.1 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptm -150.42 33.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' ASN . 29.6 m-20 62.39 8.12 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p-10 34.31 36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' ASP . 2.7 t -118.15 127.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.3 t -68.96 116.64 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -66.07 -46.54 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.543 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 17.6 mt -33.85 -49.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -115.76 -3.29 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 20.7 mtm-85 49.26 62.4 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -122.2 -94.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -170.75 151.25 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.1 mtm -130.13 100.7 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.63 -28.54 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -175.23 139.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.45 50.24 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.12 164.66 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -112.95 -178.06 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -130.15 130.21 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.36 152.73 61.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.79 3.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -106.3 -0.2 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.7 t-20 82.81 48.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 34.0 m80 -148.04 109.4 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 33' ' ' PHE . 6.9 mt -94.53 140.74 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 14' ' ' ILE . 56.3 m-85 -149.86 154.15 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -42.3 137.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -66.17 -17.96 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -94.0 -32.06 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 90.4 m -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.94 -66.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -48.19 -25.8 1.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -92.77 -26.27 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -77.39 -44.04 30.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.0 -20.23 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -9.14 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -134.33 -34.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -128.97 103.91 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 50.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.9 141.84 21.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.467 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -48.07 138.73 10.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.82 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.33 3.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 15.4 t -134.91 -51.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 50' ' ' THR . 5.0 p -99.67 -2.62 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER 34.27 42.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 54' ' ' ASP . 11.3 ttp -102.49 116.08 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -34.49 126.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.11 -45.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -87.89 155.64 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.92 29.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.06 -41.68 58.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.72 -31.43 57.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.25 -49.69 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -12.51 61.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.69 -4.93 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.3 ptm -136.46 28.67 3.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' MET . 29.3 t0 76.04 -6.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.3 p-10 39.94 33.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.35 127.67 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.7 t -68.86 116.47 9.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -66.08 -46.37 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.5 mt -33.93 -50.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.7 -3.58 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . 19.7 mtm180 49.52 62.35 2.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -122.84 -94.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -170.24 150.99 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 mtm -128.12 88.56 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.1 m -87.15 -31.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 t -170.22 147.94 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.13 56.3 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.32 162.12 40.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 2.2 mmmt -113.61 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.71 134.54 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.3 153.38 48.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 0.77 5.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.204 . . . . 0.0 112.388 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 5.0 p -106.59 0.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 t-20 82.74 52.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.4 m80 -152.08 114.02 4.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.756 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 33' ' ' PHE . 5.9 mt -98.85 142.39 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 14' ' ' ILE . 58.5 m-85 -149.67 155.24 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -44.13 132.66 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 m -61.57 -17.13 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 96.2 m -72.75 -28.61 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -72.63 -55.72 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -30.25 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -88.38 -22.52 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.3 -42.5 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -74.88 -17.59 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -32.39 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -115.58 -25.33 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.93 173.69 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -143.63 38.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -150.86 148.25 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.05 138.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.465 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.74 1.72 4.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 13.9 t -134.5 -51.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 2.5 p -97.29 -4.45 38.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' C ' ' CG2' ' A' ' 47' ' ' THR . 0.1 OUTLIER 34.15 63.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.423 ' N ' HG22 ' A' ' 47' ' ' THR . 16.6 ttp -127.68 120.02 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.1 OUTLIER -36.59 126.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.91 -51.15 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.405 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -93.17 164.76 20.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.711 . . . . 0.0 111.158 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.9 Cg_endo -69.71 -43.47 2.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.68 -44.27 93.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -35.0 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mt -66.42 -45.47 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -4.06 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.75 11.91 33.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.7 ptm -152.83 25.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' MET . 14.3 t0 78.64 -9.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 39.41 34.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 t -118.42 127.61 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.9 t -69.38 116.59 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -66.67 -46.47 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.54 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.5 mt -33.84 -48.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -117.2 -3.35 11.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 17.7 mtm180 49.34 62.41 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -122.14 -94.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.12 148.01 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.7 mtm -124.45 95.79 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.04 -25.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 t -177.03 152.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.24 50.39 4.84 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.33 42.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 1.5 mmtp -109.53 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -123.05 146.86 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.27 153.39 37.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 1.43 4.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.271 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.14 0.61 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 3.5 t-20 82.61 52.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.8 m80 -151.2 109.33 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 33' ' ' PHE . 7.2 mt -95.43 138.02 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 58.2 m-85 -145.1 149.64 35.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -38.92 137.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 m -69.49 -17.78 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -94.8 -22.19 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 84.7 m -84.71 -32.65 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.22 -38.31 72.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 31.4 ptt180 -60.78 -50.39 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -18.82 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 37.1 t-105 -77.95 -49.13 14.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -75.82 -15.57 60.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.49 -28.12 63.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -124.21 -20.53 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -113.67 164.01 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -135.2 26.81 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.55 161.48 35.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 138.26 96.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.7 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 12.4 t -136.12 -50.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.8 p -97.44 -3.16 40.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' CYS . 2.1 ttp180 34.43 47.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -108.7 121.73 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -41.13 120.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 m -113.6 -45.33 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.921 0.391 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.89 160.6 79.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.526 0.679 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.83 29.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -55.39 4.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.85 -26.07 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.8 mt -76.16 -55.12 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.15 7.94 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -151.49 28.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' ASN . 6.0 t0 75.14 -5.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 36.55 34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' HE2' ' A' ' 20' ' ' MET . 3.2 t -118.75 129.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.6 t -68.22 115.63 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.68 -46.5 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.6 mt -34.04 -50.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -115.75 -1.03 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 15.9 mtm180 47.36 60.84 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.04 -94.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.24 147.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 25.6 mtm -128.67 96.22 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.64 -21.59 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t 174.65 -27.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.34 54.15 2.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.562 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.57 161.11 43.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.55 -177.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -125.16 139.07 54.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 56.3 mt -94.64 153.41 40.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.86 3.14 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.16 2.89 19.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.1 t-20 82.59 53.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 38.5 m80 -152.05 114.67 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 33' ' ' PHE . 6.1 mt -94.46 136.32 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 61.2 m-85 -147.33 146.65 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 26.9 m170 -39.74 141.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -70.94 -19.59 62.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -92.44 -28.93 16.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 98.8 m -79.88 -30.23 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.43 -48.3 42.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -59.55 -33.72 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.52 -27.49 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.543 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 30.1 t-105 -70.96 -43.16 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.23 -15.27 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -28.75 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 4.9 mtm180 -115.43 -28.24 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 44' ' ' ARG . 1.7 mp0 -122.32 -173.79 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -148.06 14.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.73 151.03 35.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -58.24 138.13 84.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 110.88 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.543 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.3 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 11.6 t -134.36 -50.39 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 8.4 p -100.34 -3.49 31.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' CYS . 29.7 mtt-85 34.53 61.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' ASP . 7.4 tmm? -124.4 117.04 23.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' MET . 2.2 t70 -34.34 123.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.32 -39.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.24 160.12 65.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -29.02 24.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.6 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -71.07 -34.66 71.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.42 -50.99 57.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -5.31 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 12.19 29.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -154.09 27.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.1 t0 78.33 -9.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 37.68 35.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.62 127.46 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -70.14 117.31 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -66.63 -46.55 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 15.8 mt -34.07 -48.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.33 -3.24 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 50.9 mtm-85 48.54 62.79 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -123.83 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.24 151.16 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mtm -126.85 93.17 3.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.1 m -90.92 -28.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.7 t -170.21 157.89 6.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 57.37 4.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.04 44.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -111.69 -179.31 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -130.97 135.48 47.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.2 153.23 46.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.39 3.61 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -106.55 0.0 24.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 6.6 t-20 82.82 45.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.1 m80 -144.54 109.4 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 33' ' ' PHE . 4.4 mt -97.6 140.45 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 14' ' ' ILE . 50.4 m-85 -147.57 156.46 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -45.4 138.33 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -64.58 -19.66 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -92.66 -38.98 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 96.7 m -67.83 -24.84 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.0 mt -76.89 -55.39 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -54.31 -25.44 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.47 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -77.43 -43.07 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -69.01 -10.05 55.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.75 -38.67 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -126.2 -11.43 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -139.14 94.98 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' N ' ' OE1' ' A' ' 46' ' ' GLN . 1.9 pm0 -74.84 4.86 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -98.9 146.89 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -52.19 139.46 35.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 53.1 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 8.9 t -134.03 -52.34 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 4.4 p -97.63 -3.77 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER 33.85 44.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . 36.5 ttp -102.56 114.69 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.2 OUTLIER -35.71 127.58 0.66 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.5 m -116.86 -40.44 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.51 161.53 78.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 111.078 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -36.22 10.87 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.239 . . . . 0.0 112.275 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -46.23 81.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.19 -27.94 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -75.15 -58.27 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.45 -6.73 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 16.48 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -159.9 31.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER 76.35 -6.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 36.64 31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.9 t -120.03 129.14 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -66.75 114.82 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.568 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.4 -46.52 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.6 mt -33.67 -50.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.16 -0.13 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 13' ' ' CYS . 3.6 mtt-85 47.5 59.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -115.3 -94.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.59 147.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.422 ' SD ' ' CB ' ' A' ' 24' ' ' ALA . 25.3 mtm -127.65 101.5 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.02 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -179.66 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.56 59.68 2.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.61 159.75 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -109.89 176.27 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -120.07 143.61 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.99 153.34 37.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.48 3.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.329 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.84 2.47 19.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 28.5 t30 82.75 52.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.3 m80 -152.22 113.4 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 33' ' ' PHE . 5.2 mt -94.5 136.58 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.3 m-85 -146.89 153.53 40.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -44.39 140.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -69.91 -17.5 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.0 p -94.82 -29.87 14.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 94.7 m -78.39 -32.67 48.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.46 -56.84 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -59.32 -25.16 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 m -91.88 -22.25 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -78.82 -48.4 14.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -45.3 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -118.64 -16.46 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.0 173.5 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -148.65 39.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.77 143.74 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -52.77 138.17 43.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.695 0.76 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.73 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 11.3 t -135.26 -50.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 4.9 p -99.94 -3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER 34.67 46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 54' ' ' ASP . 14.3 ttp -109.31 115.95 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.5 OUTLIER -34.39 125.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.7 -42.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.41 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -101.5 165.06 14.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 54.2 Cg_endo -69.75 -24.94 29.18 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -47.16 51.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -77.92 -23.79 48.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.6 mt -75.08 -49.28 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -10.54 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.3 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' CE ' ' A' ' 9' ' ' MET . 1.1 ptm -154.43 27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t0 75.54 -4.94 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.8 p-10 40.61 33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.74 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.9 t -66.35 114.28 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.03 -46.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.1 mt -33.86 -53.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.35 -4.07 14.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.9 mtm-85 51.25 61.96 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -121.22 -94.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.2 150.96 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.1 mtm -128.07 100.23 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.58 -22.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.24 161.39 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 54.96 8.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.5 159.26 43.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -109.46 -179.77 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -130.64 123.98 30.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -79.03 153.34 77.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.9 p -106.56 -0.35 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 2.4 t30 82.83 43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 37.7 m80 -142.46 111.04 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -96.44 142.19 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE2' HG23 ' A' ' 14' ' ' ILE . 52.7 m-85 -149.89 153.69 37.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -41.92 132.35 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 m -62.05 -18.36 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -93.37 -34.19 13.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 78.5 m -74.61 -24.57 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 42' ' ' PHE . 15.4 mt -77.22 -48.24 18.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -64.71 -25.92 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 -20.5 19.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 8.5 t-105 -86.79 -52.4 5.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 38' ' ' LEU . 24.9 m-85 -66.71 -8.86 30.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -45.14 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -126.76 -10.57 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.511 ' HG2' ' CD2' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -76.01 -75.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.1 OUTLIER 82.82 20.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -156.86 128.11 6.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -34.28 136.61 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.4 Cg_endo -69.76 2.95 3.07 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.492 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 14.9 t -136.03 -51.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.5 p -97.15 -2.7 42.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' ARG . 1.9 mpt_? 34.13 64.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.4 ttp -120.66 121.62 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 t0 -41.67 119.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.3 m -133.93 -45.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.48 157.65 89.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.36 28.49 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.98 -44.75 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -69.06 -30.69 69.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.26 -47.43 50.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -3.32 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.3 14.64 28.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.462 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.4 ptm -156.23 27.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 9' ' ' MET . 5.6 t0 80.4 -11.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.2 p-10 43.89 30.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -120.79 129.04 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.7 t -64.74 113.65 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.92 -46.6 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.0 mt -33.88 -51.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.19 0.42 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 47.4 59.25 4.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -114.97 -94.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.28 147.66 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' CB ' ' A' ' 24' ' ' ALA . 17.7 mtm -126.5 105.82 9.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.2 -22.62 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 t 174.97 -27.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.45 52.25 2.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.67 155.49 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' CG ' HG21 ' A' ' 35' ' ' THR . 4.0 mmtt -109.44 -178.94 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -119.37 142.94 47.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.85 153.42 38.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 2.82 3.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.72 2.6 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 16.0 t30 82.86 52.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.2 m80 -152.63 117.16 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 33' ' ' PHE . 4.2 mt -98.61 136.41 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 51.7 m-85 -147.63 163.6 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -55.74 140.75 40.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 HG21 ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.96 -26.23 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -85.69 -34.13 21.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 97.7 m -73.09 -36.28 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 mt -67.65 -57.51 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -58.7 -27.38 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 m -90.48 -24.82 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -78.36 -41.75 32.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CD2' HD13 ' A' ' 56' ' ' LEU . 23.9 m-85 -71.0 -17.59 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -9.96 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 1.9 mtt-85 -134.54 -34.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -131.15 104.64 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.67 47.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -145.97 143.36 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -51.98 136.69 37.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.69 . . . . 0.0 110.881 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.87 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -132.02 -51.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' N ' HG21 ' A' ' 50' ' ' THR . 13.8 p -101.95 -3.68 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER 33.88 55.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.4 ttp -117.54 18.75 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 55' ' ' VAL . 6.3 t0 57.93 162.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 3.2 m -156.95 -47.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.52 158.66 33.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.69 23.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.38 -44.85 50.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.42 -32.38 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' C ' ' HB3' ' A' ' 11' ' ' ASN . 17.6 mt -68.6 -54.59 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -5.21 12.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.21 10.19 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -152.82 27.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.7 t0 80.57 -13.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 41.91 35.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' C ' ' HE2' ' A' ' 20' ' ' MET . 4.2 t -120.03 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.2 t -67.31 115.16 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -65.67 -46.6 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.143 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 17.3 mt -34.16 -50.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.22 -1.56 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . 44.8 mtm-85 48.04 61.25 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -119.3 -94.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.27 148.07 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 12' ' ' VAL . 22.5 mtm -125.25 105.47 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.19 -26.65 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t 177.24 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.17 55.96 2.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.69 158.64 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.058 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' CG ' HG22 ' A' ' 35' ' ' THR . 2.8 mmmt -109.38 178.25 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -121.14 141.52 50.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.19 153.43 38.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.91 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.68 2.22 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.4 t30 82.62 52.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.6 m80 -151.58 113.37 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 33' ' ' PHE . 42.3 mt -94.56 135.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 52.9 m-85 -146.71 148.04 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -40.17 142.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.459 HG22 ' CG ' ' A' ' 25' ' ' LYS . 2.0 m -73.63 -18.53 61.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.459 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 28.7 p -94.47 -22.83 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 91.2 m -83.09 -33.41 26.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.65 -39.8 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 24.0 ptt180 -59.96 -50.08 75.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -77.95 -18.64 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.513 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 31.3 t-105 -77.63 -50.09 13.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -76.4 -22.27 54.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -26.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -124.59 -23.0 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -113.01 168.22 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 1.9 tt0 -138.08 31.75 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.44 164.47 29.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -72.32 138.08 81.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 13.7 t -135.08 -51.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 50' ' ' THR . 12.3 p -101.35 -0.57 35.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 51' ' ' CYS . 22.9 mtp180 34.33 45.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 51' ' ' CYS . 1.6 ppp? -105.07 123.28 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.489 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 5.7 t0 -45.22 118.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.22 -42.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.98 159.38 32.79 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.75 27.18 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -80.27 -46.82 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.62 -30.89 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' CD2' ' OD1' ' A' ' 11' ' ' ASN . 11.9 mt -67.03 -54.13 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -2.31 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.96 7.83 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -147.2 24.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' MET . 7.4 t0 83.09 -19.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 10.8 t30 46.9 20.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.8 119.07 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.5 t -63.24 115.42 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.538 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -64.84 -47.01 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.166 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.538 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 21.0 mt -34.97 -53.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.84 -3.29 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 57.5 mtm-85 48.43 63.01 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -129.08 -95.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 1.0 OUTLIER -165.06 152.66 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 64.1 mtm -126.17 58.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -36.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 t -168.66 164.98 12.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.64 3.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.6 159.23 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.95 177.06 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' NH2' HD13 ' A' ' 32' ' ' ILE . 39.1 ttm-85 -125.52 150.2 47.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.6 mt -102.79 153.36 38.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.86 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -108.06 1.64 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 29.0 t30 82.75 52.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.9 m80 -151.65 120.18 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 33' ' ' PHE . 95.8 mt -101.94 138.35 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 53.0 m-85 -147.96 142.6 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 23.2 m170 -37.04 143.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 m -73.37 -18.81 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 -20.34 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 93.1 m -86.58 -26.85 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.05 -39.13 56.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -58.74 -50.24 74.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.38 -17.57 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 50.7 t-105 -77.97 -55.26 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -70.51 -15.95 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -32.0 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -124.2 -18.95 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -111.64 165.36 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -138.03 15.82 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -129.02 147.31 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.468 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -51.52 137.68 31.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 13.6 t -133.24 -51.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.181 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.5 ' N ' ' CG2' ' A' ' 50' ' ' THR . 12.6 p -101.79 -3.28 28.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 39.4 mtt-85 34.17 64.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ASP . 11.1 ttp -126.66 115.67 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' MET . 1.2 t70 -35.28 122.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.08 -34.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.451 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -114.75 166.79 10.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.2 Cg_endo -69.8 -24.76 29.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.733 2.288 . . . . 0.0 112.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.87 -48.06 33.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.08 -32.29 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.96 -42.31 90.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -19.31 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.37 7.85 10.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ptm -152.51 33.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' ASN . 50.3 m-20 62.43 8.06 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.2 p-10 34.39 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.3 t -117.98 126.29 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -69.57 116.15 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.4 -46.61 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.542 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 21.2 mt -33.85 -53.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.227 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.47 -3.09 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 48.23 63.15 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -124.09 -94.61 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -169.66 152.26 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -128.74 105.37 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.12 -19.68 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t 176.55 155.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.09 4.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.18 160.52 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -109.69 -178.91 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 16.4 ttp-105 -129.72 133.55 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.0 mt -87.29 153.35 53.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.696 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 2.93 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.4 p -106.31 1.23 25.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 8.5 t-20 82.81 48.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.8 m80 -147.66 120.27 8.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 33' ' ' PHE . 3.6 mt -104.16 140.87 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 14' ' ' ILE . 45.2 m-85 -148.68 154.52 39.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -41.66 139.63 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 m -67.67 -16.83 64.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.2 p -94.83 -35.85 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 91.6 m -69.77 -37.24 76.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.47 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -50.23 -35.3 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 m -81.37 -23.63 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -79.32 -51.53 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -34.86 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -120.39 -22.61 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -108.46 175.77 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.498 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 4.9 tt0 -148.8 39.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.86 146.19 24.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.47 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -52.82 135.67 46.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.74 2.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.622 2.215 . . . . 0.0 112.386 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 6.3 t -132.89 -46.58 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' N ' ' CG2' ' A' ' 50' ' ' THR . 11.9 p -108.62 -1.37 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 4.9 mpt_? 35.09 58.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 54' ' ' ASP . 11.4 mtp -110.27 112.16 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 1.3 t70 -34.29 118.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.7 m -136.33 -39.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.45 159.26 67.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 -40.64 4.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.35 -32.11 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 26' ' ' ARG . 5.0 mm-40 -84.51 -33.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' ASN . 9.7 mt -71.58 -39.5 70.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -22.16 63.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.31 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 ptm -140.52 34.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 62.49 7.98 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.9 p-10 34.25 37.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' ASP . 2.8 t -117.35 124.86 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.7 t -67.75 116.58 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.98 -46.54 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.2 mt -34.96 -50.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.162 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.19 -2.6 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 4.8 mtm180 47.42 63.31 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -125.47 -94.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -168.13 153.5 6.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 40.8 mtm -130.61 107.92 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.95 -23.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -172.24 176.02 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.48 58.17 14.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.51 161.03 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -109.39 -176.2 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 5' ' ' GLU . 46.5 ttp180 -136.01 120.67 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.2 mt -75.3 153.44 86.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.14 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.296 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -107.39 5.46 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 81.86 16.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.4 m80 -112.32 109.62 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 33' ' ' PHE . 3.4 mt -95.12 143.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 14' ' ' ILE . 55.5 m-85 -149.92 162.73 39.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.56 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 24.8 m170 -52.81 139.68 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m -69.22 -17.94 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.463 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 3.8 m -94.79 -24.12 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 92.5 m -82.79 -32.54 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.62 -38.57 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 30.5 ptt85 -61.72 -49.72 75.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 t -78.12 -18.49 55.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 55.6 t-105 -81.69 -39.71 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -71.42 -10.67 60.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.77 -35.96 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -126.52 -10.76 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.09 90.52 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.64 9.89 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.71 141.23 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB3' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -42.28 135.92 2.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.8 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.748 2.299 . . . . 0.0 112.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.3 t -135.96 -47.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.551 ' N ' ' CG2' ' A' ' 50' ' ' THR . 1.3 p -102.72 -1.68 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' C ' ' CG2' ' A' ' 47' ' ' THR . 0.9 OUTLIER 33.66 64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . 4.6 ttp -120.63 116.9 26.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' MET . 28.9 t0 -36.66 120.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LEU . 8.0 m -128.23 -49.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -73.41 151.59 89.73 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.28 27.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -23.63 58.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -91.99 -38.78 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.07 -44.15 96.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -14.71 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 10.35 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.4 ptm -148.25 25.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 t0 73.07 -2.71 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 37.18 35.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.52 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 50.7 t -69.32 116.99 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.55 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -66.18 -46.4 87.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 13.8 mt -33.84 -49.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 p -115.96 -3.39 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 49.17 62.71 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -123.18 -94.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.4 153.43 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 34.3 mtm -130.94 99.24 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -96.96 -22.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.07 156.07 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 42.87 7.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.58 161.75 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 3.4 mmmt -110.2 -177.03 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -126.4 139.12 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 mt -93.73 153.32 41.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.42 4.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 112.321 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.7 p -106.71 1.26 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.3 t-20 82.75 51.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 34.5 m170 -151.16 128.88 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 25' ' ' LYS . 6.4 mt -109.69 137.25 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 34.4 m-85 -144.75 150.59 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -39.65 134.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -62.49 -16.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -37.39 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 94.3 m -67.66 -35.37 78.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.7 mt -65.78 -58.49 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -56.36 -28.01 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -87.89 -26.76 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -48.58 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.37 -14.6 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -38.52 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 -26.12 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.39 175.89 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -148.5 32.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -140.6 132.87 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 1.9 t -40.28 134.53 1.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.2 t -127.03 -47.1 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' N ' ' CG2' ' A' ' 50' ' ' THR . 18.4 p -110.55 -4.5 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 10.0 mtm180 34.1 59.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.0 ttp -115.08 6.11 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 55' ' ' VAL . 28.7 t0 70.56 148.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.414 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 9.7 m -143.54 -42.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' N ' HG22 ' A' ' 55' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 161.62 24.52 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.575 0.703 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.38 20.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.07 -48.7 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.57 -34.06 71.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.5 -50.56 66.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.96 -3.24 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.99 4.55 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 4.8 ptm -146.77 27.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' ASN . 6.4 t0 76.84 -3.03 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.4 p-10 36.77 37.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.86 127.5 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 38.1 t -62.54 112.49 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.41 -46.61 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.527 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 17.7 mt -35.03 -53.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.79 0.74 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 46.81 59.07 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.47 -94.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.47 151.78 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.422 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 32.8 mtm -130.89 100.26 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.86 -24.06 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t 178.37 139.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.43 53.91 1.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.21 162.47 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' CG ' HG21 ' A' ' 35' ' ' THR . 5.5 mmtt -109.39 -175.4 2.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -131.69 134.67 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.3 153.35 51.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.729 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 9.2 p -109.66 4.85 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.0 t-20 82.67 29.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 23.8 m170 -123.69 110.25 14.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 7.5 mt -98.92 132.65 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 19.0 m-85 -144.65 166.55 24.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 32.7 m170 -51.2 139.95 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.433 HG21 ' CG ' ' A' ' 25' ' ' LYS . 3.0 m -68.34 -20.08 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -91.34 -33.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 72.5 m -70.02 -37.44 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.4 -52.26 41.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -58.82 -33.84 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t -87.76 -25.35 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -72.05 -47.61 50.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 55' ' ' VAL . 63.4 m-85 -69.97 -16.54 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -28.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -111.69 -32.58 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -108.96 -169.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.45 18.36 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.48 -177.8 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.78 134.27 34.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.6 Cg_endo -69.7 64.74 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.495 ' CG2' ' C ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.74 -66.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.63 -20.19 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.07 45.37 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.467 ' SD ' ' CG1' ' A' ' 55' ' ' VAL . 3.1 ppp? -103.81 127.55 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.45 127.62 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.566 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 7.9 m -135.9 -42.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.927 0.394 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.8 164.67 38.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.649 0.738 . . . . 0.0 111.089 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -24.92 29.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 -49.6 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.22 -35.76 78.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.41 -50.76 64.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -11.26 58.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.35 12.55 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -153.39 25.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 9' ' ' MET . 10.0 t0 79.31 -9.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.5 p-10 43.07 32.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.99 129.07 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.5 t -62.99 111.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.24 -46.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.533 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 19.0 mt -34.14 -54.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' SG ' ' CD ' ' A' ' 18' ' ' GLU . 27.2 p -111.54 -1.73 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 53.3 mtm-85 50.17 59.75 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 81.5 mt-10 -115.68 -94.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -172.96 148.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.9 mtm -128.38 99.92 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 m -101.61 -19.67 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t 177.1 139.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 56.59 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.27 39.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -109.48 173.87 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -126.17 132.86 51.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 96.8 mt -88.18 153.39 51.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.608 2.205 . . . . 0.0 112.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 7.2 p -106.09 1.12 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 7.0 t-20 82.68 45.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 36.0 m80 -142.51 119.67 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 5.5 mt -108.12 141.92 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 32.9 m-85 -149.89 163.94 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -53.01 128.99 29.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 82.2 m -56.74 -16.65 6.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.91 -36.95 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 41' ' ' TRP . 83.8 m -68.15 -27.35 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 22.9 mt -80.43 -38.74 29.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 35' ' ' THR . 12.1 mmm-85 -60.09 -41.28 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -39.43 17.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 11.9 t-105 -62.66 -43.7 98.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 38' ' ' LEU . 12.6 m-85 -66.76 -20.09 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -88.71 -8.72 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -126.83 -10.64 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.503 ' HB2' ' CD1' ' A' ' 41' ' ' TRP . 31.7 mm-40 -125.5 -64.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER 83.2 20.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -154.24 136.71 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -34.12 134.56 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.1 Cg_endo -69.83 3.49 2.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 9.8 t -132.13 -53.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.0 p -100.81 -2.73 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' CYS . 2.6 mmt-85 33.81 71.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.47 ' N ' HG21 ' A' ' 47' ' ' THR . 11.5 mtm -126.79 113.15 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' MET . 53.5 t0 -35.35 119.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.18 -39.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.52 162.61 22.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.58 29.46 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -73.72 -50.04 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 -45.07 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.96 -29.76 57.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.47 30.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.65 16.75 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -154.06 20.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER 82.88 -6.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 42.32 26.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.54 129.64 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.8 t -65.32 113.57 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -64.34 -46.34 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.545 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.8 mt -33.99 -53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.16 0.76 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.4 mtm-85 47.32 58.62 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -113.36 -94.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.72 148.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 24' ' ' ALA . 25.5 mtm -130.33 100.92 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -23.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.7 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.04 56.24 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -152.68 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 2.6 mmmt -109.41 -175.73 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -125.88 137.03 53.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.3 mt -92.22 153.46 43.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.81 3.28 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER 82.82 53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.0 m80 -153.2 123.4 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 33' ' ' PHE . 5.1 mt -100.21 135.76 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 58.0 m-85 -146.73 154.64 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -46.75 139.57 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -67.01 -17.14 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.8 -33.38 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 95.4 m -74.73 -26.92 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.79 -50.92 13.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -65.71 -25.7 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.9 m -90.88 -24.16 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -78.07 -45.04 24.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 56' ' ' LEU . 22.9 m-85 -67.94 -16.54 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.05 -34.86 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.82 -13.73 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -130.49 -179.99 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 3.0 tt0 -153.58 26.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.416 HG21 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.37 128.13 23.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.14 133.58 0.92 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.52 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 4.4 t -128.44 -47.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.133 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.52 ' N ' ' CG2' ' A' ' 50' ' ' THR . 16.4 p -107.77 -4.96 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.6 mmt180 33.62 55.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.5 mtp -108.74 -0.45 20.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' GLN . 28.0 t0 68.13 139.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.27 -43.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.0 p -67.83 152.69 96.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.23 -34.19 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -79.54 -37.28 36.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.37 -53.68 44.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -7.25 17.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.24 16.93 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.475 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -159.85 29.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 81.13 -14.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 42.4 31.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' C ' ' HE1' ' A' ' 20' ' ' MET . 2.6 t -117.72 126.92 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.1 t -65.39 114.68 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.548 HG21 ' CE1' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -65.63 -46.7 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 18.0 mt -34.54 -51.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.09 -2.22 13.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 48.62 61.74 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -121.75 -94.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.14 147.87 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.491 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 29.6 mtm -124.35 102.76 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.42 -22.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -179.53 163.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.5 52.22 10.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.04 161.42 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -109.43 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -130.91 129.93 42.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.83 153.19 60.48 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.618 0.723 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 2.75 3.19 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -105.23 -0.71 26.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.534 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 7.4 t30 82.77 50.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.6 m80 -149.6 116.28 5.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 33' ' ' PHE . 4.3 mt -102.03 143.86 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 31' ' ' HIS . 40.1 m-85 -149.92 153.47 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.491 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 30.0 m170 -47.36 129.94 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -58.1 -29.93 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -80.27 -36.92 33.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 89.1 m -70.49 -29.59 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.3 mt -70.43 -38.89 74.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 6.3 mmm-85 -64.72 -48.98 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -77.5 -13.84 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 58.1 t-105 -87.82 -43.62 11.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.95 -6.8 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -37.47 83.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -126.58 -10.7 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.82 90.0 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -80.13 43.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -156.7 148.36 22.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -47.17 134.17 9.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.5 Cg_endo -69.66 2.98 3.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 12.3 t -133.66 -50.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.175 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.7 p -96.93 -5.21 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' CYS . 45.1 mtm-85 34.1 59.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.467 ' N ' HG21 ' A' ' 47' ' ' THR . 34.8 ttp -131.96 120.6 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' MET . 9.1 t70 -34.71 126.53 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.2 m -117.29 -45.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' VAL . 1.2 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.46 159.6 63.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.29 20.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.612 2.208 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -71.23 -34.42 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HG3' ' NH1' ' A' ' 26' ' ' ARG . 45.3 mm-40 -83.04 -33.55 26.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.38 -56.63 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -2.83 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.94 14.15 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -157.11 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER 75.1 -5.17 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 35.04 33.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 10' ' ' ASP . 3.9 t -119.82 128.49 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.2 t -63.89 113.13 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -64.56 -46.63 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 13.5 mt -33.91 -52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.77 0.71 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 47.41 59.11 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -114.57 -94.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.58 148.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.42 ' HE3' ' C ' ' A' ' 12' ' ' VAL . 15.6 mtm -128.74 104.97 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.82 -22.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.74 -27.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.37 50.93 2.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.57 159.1 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.44 -176.98 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 5' ' ' GLU . 38.9 ttp180 -123.74 136.75 54.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 153.57 45.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 3.03 2.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.733 2.289 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -114.42 18.99 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.553 ' N ' ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER 67.42 48.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.7 m80 -144.67 109.6 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 4.4 mt -94.53 137.71 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 14' ' ' ILE . 45.6 m-85 -149.58 164.89 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -57.52 139.47 53.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -66.18 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -34.23 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.788 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 98.1 m -73.38 -35.48 65.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -67.32 -64.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -50.73 -31.88 17.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -86.26 -28.34 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -73.76 -40.79 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.37 -14.31 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -15.69 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -127.95 -29.42 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 102.59 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.54 60.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.459 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -162.21 155.92 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.467 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -60.79 138.4 93.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 51' ' ' CYS . 9.9 t -132.63 -52.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.8 p -100.18 -3.58 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 4.6 mmm-85 34.43 63.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' ASP . 7.4 tmm? -129.61 116.45 18.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.8 OUTLIER -34.29 120.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 56' ' ' LEU . 3.1 m -114.32 -41.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.15 162.22 52.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -75.96 -34.64 59.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' CD2' ' OD1' ' A' ' 11' ' ' ASN . 11.5 mt -66.45 -55.91 13.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -2.68 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.66 16.99 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -157.01 26.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.5 t70 83.43 -21.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.501 ' OD1' ' CD2' ' A' ' 6' ' ' LEU . 11.4 t30 47.54 22.81 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 120.47 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' ARG . 31.9 t -62.84 115.15 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -65.14 -46.8 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 16.4 mt -36.92 -52.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -109.6 -0.8 18.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 44.69 63.05 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -128.42 -95.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.37 152.63 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 74.8 mtm -128.81 56.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -33.38 -37.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.1 t -179.67 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 22' ' ' THR . . . -72.08 64.9 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.72 161.8 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' CG ' ' CG2' ' A' ' 35' ' ' THR . 5.7 mmtt -109.29 165.8 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -112.02 144.96 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 75.0 mt -101.45 154.0 37.51 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.6 3.57 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 32.9 t30 82.97 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 31.4 m170 -147.98 115.8 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 33' ' ' PHE . 4.6 mt -94.41 135.82 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.7 m-85 -147.94 148.17 30.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.7 m170 -44.04 141.13 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.432 ' CG2' ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -69.71 -24.09 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.9 p -87.99 -30.25 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 93.3 m -75.62 -41.3 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 34.0 mt -64.16 -62.77 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -48.4 -26.51 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -94.27 -19.98 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' LEU . 42.8 t-105 -82.75 -47.21 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 28.0 m-85 -66.65 -18.76 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.42 -9.57 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.16 -34.34 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -130.52 104.37 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.23 46.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -144.17 125.7 14.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -34.79 136.39 0.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.37 2.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 15.2 t -131.05 -51.45 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 50' ' ' THR . 17.1 p -103.84 -3.06 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 7.0 mpt_? 34.12 39.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 53' ' ' MET . 44.1 ttp -94.3 6.79 47.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 t0 63.64 143.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.421 ' CG2' ' CZ ' ' A' ' 42' ' ' PHE . 1.7 m -134.41 -44.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.36 161.06 55.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -26.63 27.77 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.76 2.307 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -80.55 -46.54 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -69.98 -29.58 66.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.46 -61.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -8.41 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 4' ' ' GLU . . . -93.31 16.72 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -158.47 30.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 8.7 t0 83.01 -19.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 39.64 34.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' HE2' ' A' ' 20' ' ' MET . 2.8 t -120.46 122.7 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -64.91 115.5 5.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -65.11 -46.52 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.544 ' N ' ' CG2' ' A' ' 14' ' ' ILE . 19.5 mt -35.72 -53.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.8 -3.92 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' CYS . 13.2 mtm180 48.64 62.86 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -127.49 -95.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.42 152.57 20.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.421 ' HE2' ' C ' ' A' ' 12' ' ' VAL . 24.9 mtm -132.72 105.9 7.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.0 -47.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -122.26 176.92 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' THR . . . 34.04 68.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 144.7 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 4.9 mmtt -109.3 177.12 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -130.38 111.98 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.45 153.44 90.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.86 3.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.3 p -106.46 0.05 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.8 t30 82.85 52.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.5 m80 -152.86 116.09 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 33' ' ' PHE . 8.3 mt -94.52 143.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 49' ' ' PRO . 56.0 m-85 -148.96 142.83 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLU . 22.9 m170 -43.97 131.58 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -57.21 -19.77 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -93.01 -42.13 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 78.0 m -67.95 -21.31 65.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 33' ' ' PHE . 22.9 mt -77.45 -59.18 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.36 -21.16 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.421 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 2.5 t -93.4 -21.95 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -81.5 -52.44 7.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.7 -15.26 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -26.65 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 40' ' ' SER . 45.9 mtt85 -123.95 -26.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 177.4 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -144.98 27.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.26 145.47 45.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -48.39 137.51 11.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 11.5 t -135.93 -49.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.7 p -99.12 -3.29 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' C ' ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER 34.45 62.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -126.28 121.82 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.76 124.43 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.54 -38.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.823 0.344 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 159.94 32.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 111.186 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -25.96 27.98 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -77.35 -38.93 49.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.36 -41.74 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.59 7.1 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptm -150.42 33.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.6 m-20 62.39 8.12 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p-10 34.31 36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.7 t -118.15 127.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.3 t -68.96 116.64 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.07 -46.54 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.734 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.6 mt -33.85 -49.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -115.76 -3.29 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 20.7 mtm-85 49.26 62.4 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -122.2 -94.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.6 tt0 -170.75 151.25 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 30.1 mtm -130.13 100.7 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.63 -28.54 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -175.23 139.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.45 50.24 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.12 164.66 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -112.95 -178.06 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -130.15 130.21 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.36 152.73 61.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.79 3.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -106.3 -0.2 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.7 t-20 82.81 48.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 34.0 m80 -148.04 109.4 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.9 mt -94.53 140.74 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.677 ' HB3' HD12 ' A' ' 15' ' ' ILE . 56.3 m-85 -149.86 154.15 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 27.5 m170 -42.3 137.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -66.17 -17.96 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -94.0 -32.06 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.734 ' HB3' HG21 ' A' ' 15' ' ' ILE . 90.4 m -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.94 -66.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -48.19 -25.8 1.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -92.77 -26.27 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -77.39 -44.04 30.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.0 -20.23 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -9.14 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -134.33 -34.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -128.97 103.91 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 50.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.9 141.84 21.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -48.07 138.73 10.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.82 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.33 3.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.4 t -134.91 -51.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 5.0 p -99.67 -2.62 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.682 ' O ' HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER 34.27 42.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.3 ttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -87.89 155.64 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.92 29.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.06 -41.68 58.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.72 -31.43 57.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.25 -49.69 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -12.51 61.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.69 -4.93 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.3 ptm -136.46 28.67 3.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' MET . 29.3 t0 76.04 -6.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.3 p-10 39.94 33.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -119.35 127.67 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.7 t -68.86 116.47 9.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.08 -46.37 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.5 mt -33.93 -50.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.7 -3.58 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . 19.7 mtm180 49.52 62.35 2.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -122.84 -94.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -170.24 150.99 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.517 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.1 mtm -128.12 88.56 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 22' ' ' THR . 14.1 m -87.15 -31.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.516 HG22 HG23 ' A' ' 21' ' ' VAL . 10.3 t -170.22 147.94 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.13 56.3 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.32 162.12 40.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.2 mmmt -113.61 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.71 134.54 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.3 153.38 48.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 0.77 5.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.204 . . . . 0.0 112.388 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 5.0 p -106.59 0.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 t-20 82.74 52.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 36.4 m80 -152.08 114.02 4.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.756 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.9 mt -98.85 142.39 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.5 m-85 -149.67 155.24 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -44.13 132.66 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 m -61.57 -17.13 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.739 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.2 m -72.75 -28.61 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -72.63 -55.72 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -30.25 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -88.38 -22.52 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.3 -42.5 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -74.88 -17.59 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -32.39 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -115.58 -25.33 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.93 173.69 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -143.63 38.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -150.86 148.25 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.468 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -51.05 138.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.74 1.72 4.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.9 t -134.5 -51.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 2.5 p -97.29 -4.45 38.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER 34.15 63.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 16.6 ttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.521 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -93.17 164.76 20.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.711 . . . . 0.0 111.158 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.521 ' HD2' HG22 ' A' ' 2' ' ' THR . 53.9 Cg_endo -69.71 -43.47 2.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.68 -44.27 93.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -35.0 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 32' ' ' ILE . 8.7 mt -66.42 -45.47 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -4.06 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.75 11.91 33.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.7 ptm -152.83 25.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 t0 78.64 -9.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 39.41 34.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' ASP . 4.2 t -118.42 127.61 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.9 t -69.38 116.59 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.67 -46.47 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.742 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.5 mt -33.84 -48.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -117.2 -3.35 11.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 17.7 mtm180 49.34 62.41 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -122.14 -94.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -172.12 148.01 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.7 mtm -124.45 95.79 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.04 -25.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 t -177.03 152.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.24 50.39 4.84 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.33 42.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 mmtp -109.53 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -123.05 146.86 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.27 153.39 37.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 1.43 4.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.271 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.14 0.61 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 3.5 t-20 82.61 52.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.8 m80 -151.2 109.33 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.2 mt -95.43 138.02 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.2 m-85 -145.1 149.64 35.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -38.92 137.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 m -69.49 -17.78 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -94.8 -22.19 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.742 ' HB3' HG21 ' A' ' 15' ' ' ILE . 84.7 m -84.71 -32.65 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.22 -38.31 72.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 31.4 ptt180 -60.78 -50.39 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -18.82 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 37.1 t-105 -77.95 -49.13 14.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -75.82 -15.57 60.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.49 -28.12 63.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -124.21 -20.53 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -113.67 164.01 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -135.2 26.81 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.55 161.48 35.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -65.88 138.26 96.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.7 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.621 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.4 t -136.12 -50.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' N ' HG23 ' A' ' 50' ' ' THR . 1.8 p -97.44 -3.16 40.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.639 ' C ' HG22 ' A' ' 47' ' ' THR . 2.1 ttp180 34.43 47.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.429 ' HB1' ' HG ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.921 0.391 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.89 160.6 79.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.526 0.679 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.83 29.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -55.39 4.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.85 -26.07 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.684 HD21 HG21 ' A' ' 32' ' ' ILE . 10.8 mt -76.16 -55.12 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.15 7.94 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -151.49 28.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.0 t0 75.14 -5.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 36.55 34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.2 t -118.75 129.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.6 t -68.22 115.63 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.68 -46.5 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -34.04 -50.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -115.75 -1.03 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 15.9 mtm180 47.36 60.84 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.04 -94.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -173.24 147.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.632 ' SD ' HG22 ' A' ' 32' ' ' ILE . 25.6 mtm -128.67 96.22 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.64 -21.59 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t 174.65 -27.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.34 54.15 2.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.562 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 161.11 43.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.064 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.55 -177.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -125.16 139.07 54.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 56.3 mt -94.64 153.41 40.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.86 3.14 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.16 2.89 19.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.1 t-20 82.59 53.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 38.5 m80 -152.05 114.67 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.1 mt -94.46 136.32 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 14' ' ' ILE . 61.2 m-85 -147.33 146.65 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 26.9 m170 -39.74 141.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -70.94 -19.59 62.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -92.44 -28.93 16.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.735 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.8 m -79.88 -30.23 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.2 mt -72.43 -48.3 42.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -59.55 -33.72 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.52 -27.49 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 30.1 t-105 -70.96 -43.16 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.23 -15.27 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -28.75 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -115.43 -28.24 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -122.32 -173.79 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -148.06 14.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.791 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.73 151.03 35.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -58.24 138.13 84.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 110.88 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.3 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.6 t -134.36 -50.39 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 50' ' ' THR . 8.4 p -100.34 -3.49 31.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.791 ' C ' HG22 ' A' ' 47' ' ' THR . 29.7 mtt-85 34.53 61.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 47' ' ' THR . 7.4 tmm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.24 160.12 65.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -29.02 24.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.6 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -71.07 -34.66 71.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 32' ' ' ILE . 6.3 mt -67.42 -50.99 57.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -5.31 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 12.19 29.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -154.09 27.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t0 78.33 -9.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 37.68 35.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -118.62 127.46 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -70.14 117.31 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.63 -46.55 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.71 HG21 ' HB3' ' A' ' 37' ' ' CYS . 15.8 mt -34.07 -48.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.33 -3.24 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 50.9 mtm-85 48.54 62.79 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -123.83 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -171.24 151.16 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.584 ' SD ' HG22 ' A' ' 32' ' ' ILE . 23.4 mtm -126.85 93.17 3.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 22' ' ' THR . 16.1 m -90.92 -28.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 HG23 ' A' ' 21' ' ' VAL . 3.7 t -170.21 157.89 6.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 57.37 4.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.04 44.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -111.69 -179.31 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -130.97 135.48 47.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.2 153.23 46.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.39 3.61 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -106.55 0.0 24.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 6.6 t-20 82.82 45.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.1 m80 -144.54 109.4 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -97.6 140.45 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 15' ' ' ILE . 50.4 m-85 -147.57 156.46 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -45.4 138.33 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -64.58 -19.66 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -92.66 -38.98 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.7 m -67.83 -24.84 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 33' ' ' PHE . 26.0 mt -76.89 -55.39 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -54.31 -25.44 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.47 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -77.43 -43.07 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -69.01 -10.05 55.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.75 -38.67 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -126.2 -11.43 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -139.14 94.98 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' N ' ' OE1' ' A' ' 46' ' ' GLN . 1.9 pm0 -74.84 4.86 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.632 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -98.9 146.89 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -52.19 139.46 35.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 53.1 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 51' ' ' CYS . 8.9 t -134.03 -52.34 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.625 ' N ' HG23 ' A' ' 50' ' ' THR . 4.4 p -97.63 -3.77 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.632 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 33.85 44.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 36.5 ttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.51 161.53 78.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 111.078 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -36.22 10.87 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.239 . . . . 0.0 112.275 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -46.23 81.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.19 -27.94 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 32' ' ' ILE . 8.3 mt -75.15 -58.27 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.45 -6.73 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 16.48 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -159.9 31.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 76.35 -6.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 36.64 31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.9 t -120.03 129.14 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -66.75 114.82 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.4 -46.52 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -33.67 -50.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.16 -0.13 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.623 ' NH1' HD11 ' A' ' 14' ' ' ILE . 3.6 mtt-85 47.5 59.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -115.3 -94.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -174.59 147.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.642 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 25.3 mtm -127.65 101.5 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.02 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -179.66 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.56 59.68 2.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.61 159.75 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.727 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.4 mmtt -109.89 176.27 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -120.07 143.61 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.99 153.34 37.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.48 3.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.329 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.84 2.47 19.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 28.5 t30 82.75 52.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.3 m80 -152.22 113.4 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.2 mt -94.5 136.58 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.3 m-85 -146.89 153.53 40.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -44.39 140.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -69.91 -17.5 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.0 p -94.82 -29.87 14.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.748 ' HB3' HG21 ' A' ' 15' ' ' ILE . 94.7 m -78.39 -32.67 48.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.46 -56.84 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -59.32 -25.16 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 m -91.88 -22.25 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -78.82 -48.4 14.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -45.3 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -118.64 -16.46 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.0 173.5 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -148.65 39.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -146.77 143.74 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.42 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -52.77 138.17 43.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.695 0.76 . . . . 0.0 110.897 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.73 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.3 t -135.26 -50.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.613 ' N ' HG23 ' A' ' 50' ' ' THR . 4.9 p -99.94 -3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.628 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 34.67 46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.3 ttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.42 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -101.5 165.06 14.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 54.2 Cg_endo -69.75 -24.94 29.18 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -47.16 51.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -77.92 -23.79 48.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -75.08 -49.28 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -10.54 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.3 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' CE ' ' A' ' 9' ' ' MET . 1.1 ptm -154.43 27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.6 t0 75.54 -4.94 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.8 p-10 40.61 33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.4 t -119.74 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.9 t -66.35 114.28 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.03 -46.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.763 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.1 mt -33.86 -53.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.35 -4.07 14.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.9 mtm-85 51.25 61.96 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -121.22 -94.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.2 150.96 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 32' ' ' ILE . 28.1 mtm -128.07 100.23 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.58 -22.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.24 161.39 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 54.96 8.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.5 159.26 43.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -109.46 -179.77 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -130.64 123.98 30.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -79.03 153.34 77.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.9 p -106.56 -0.35 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 2.4 t30 82.83 43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 37.7 m80 -142.46 111.04 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -96.44 142.19 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 15' ' ' ILE . 52.7 m-85 -149.89 153.69 37.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -41.92 132.35 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 m -62.05 -18.36 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -93.37 -34.19 13.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.763 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.5 m -74.61 -24.57 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 42' ' ' PHE . 15.4 mt -77.22 -48.24 18.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -64.71 -25.92 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 -20.5 19.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 45' ' ' GLN . 8.5 t-105 -86.79 -52.4 5.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.966 ' CE2' HD22 ' A' ' 38' ' ' LEU . 24.9 m-85 -66.71 -8.86 30.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -45.14 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -126.76 -10.57 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' ' CD2' ' A' ' 41' ' ' TRP . 0.5 OUTLIER -76.01 -75.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.1 OUTLIER 82.82 20.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -156.86 128.11 6.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -34.28 136.61 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.4 Cg_endo -69.76 2.95 3.07 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 51' ' ' CYS . 14.9 t -136.03 -51.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.631 ' N ' HG23 ' A' ' 50' ' ' THR . 1.5 p -97.15 -2.7 42.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' ARG . 1.9 mpt_? 34.13 64.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.4 ttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.48 157.65 89.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.36 28.49 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.98 -44.75 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -69.06 -30.69 69.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 32' ' ' ILE . 7.6 mt -72.26 -47.43 50.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -3.32 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.3 14.64 28.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.462 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.4 ptm -156.23 27.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 9' ' ' MET . 5.6 t0 80.4 -11.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.2 p-10 43.89 30.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.4 t -120.79 129.04 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.7 t -64.74 113.65 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.92 -46.6 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.0 mt -33.88 -51.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.19 0.42 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 47.4 59.25 4.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -114.97 -94.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.661 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.28 147.66 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 17.7 mtm -126.5 105.82 9.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.2 -22.62 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 t 174.97 -27.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.45 52.25 2.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.67 155.49 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.0 mmtt -109.44 -178.94 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -119.37 142.94 47.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.85 153.42 38.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 2.82 3.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.72 2.6 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 16.0 t30 82.86 52.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.2 m80 -152.63 117.16 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.2 mt -98.61 136.41 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 15' ' ' ILE . 51.7 m-85 -147.63 163.6 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -55.74 140.75 40.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.96 -26.23 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -85.69 -34.13 21.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.723 ' HB3' HG21 ' A' ' 15' ' ' ILE . 97.7 m -73.09 -36.28 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 33.2 mt -67.65 -57.51 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -58.7 -27.38 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 m -90.48 -24.82 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' HG23 ' A' ' 15' ' ' ILE . 32.9 t-105 -78.36 -41.75 32.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.606 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 23.9 m-85 -71.0 -17.59 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -9.96 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -134.54 -34.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 104.64 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.67 47.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.97 143.36 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -51.98 136.69 37.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.69 . . . . 0.0 110.881 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.87 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -132.02 -51.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 13.8 p -101.95 -3.68 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER 33.88 55.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.52 158.66 33.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.69 23.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.38 -44.85 50.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.42 -32.38 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -68.6 -54.59 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -5.21 12.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.21 10.19 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -152.82 27.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.7 t0 80.57 -13.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 41.91 35.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.2 t -120.03 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.2 t -67.31 115.16 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.67 -46.6 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.143 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.3 mt -34.16 -50.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.22 -1.56 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . 44.8 mtm-85 48.04 61.25 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -119.3 -94.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -172.27 148.07 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.692 ' SD ' HG22 ' A' ' 32' ' ' ILE . 22.5 mtm -125.25 105.47 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.19 -26.65 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t 177.24 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.17 55.96 2.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.69 158.64 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.058 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.8 mmmt -109.38 178.25 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -121.14 141.52 50.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.19 153.43 38.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.91 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.68 2.22 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.4 t30 82.62 52.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.6 m80 -151.58 113.37 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.3 mt -94.56 135.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 31' ' ' HIS . 52.9 m-85 -146.71 148.04 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -40.17 142.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -73.63 -18.53 61.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.473 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 28.7 p -94.47 -22.83 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' HB3' HG21 ' A' ' 15' ' ' ILE . 91.2 m -83.09 -33.41 26.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.65 -39.8 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 24.0 ptt180 -59.96 -50.08 75.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -77.95 -18.64 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.445 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 31.3 t-105 -77.63 -50.09 13.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -76.4 -22.27 54.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -26.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -124.59 -23.0 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -113.01 168.22 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.08 31.75 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.646 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.44 164.47 29.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -72.32 138.08 81.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.63 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -135.08 -51.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 50' ' ' THR . 12.3 p -101.35 -0.57 35.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.646 ' C ' HG22 ' A' ' 47' ' ' THR . 22.9 mtp180 34.33 45.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 51' ' ' CYS . 1.6 ppp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.98 159.38 32.79 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.75 27.18 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -80.27 -46.82 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 10.1 mm-40 -71.62 -30.89 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.941 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.9 mt -67.03 -54.13 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -2.31 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.96 7.83 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.714 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -147.2 24.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' MET . 7.4 t0 83.09 -19.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.941 ' OD1' HD22 ' A' ' 6' ' ' LEU . 10.8 t30 46.9 20.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.8 119.07 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.5 t -63.24 115.42 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.84 -47.01 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.166 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 21.0 mt -34.97 -53.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.84 -3.29 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 57.5 mtm-85 48.43 63.01 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -129.08 -95.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 1.0 OUTLIER -165.06 152.66 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.584 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 64.1 mtm -126.17 58.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -36.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 t -168.66 164.98 12.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.64 3.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.6 159.23 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -110.95 177.06 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 5' ' ' GLU . 39.1 ttm-85 -125.52 150.2 47.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 ' HE1' ' A' ' 33' ' ' PHE . 77.6 mt -102.79 153.36 38.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.86 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -108.06 1.64 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 29.0 t30 82.75 52.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.9 m80 -151.65 120.18 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 25' ' ' LYS . 95.8 mt -101.94 138.35 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 53.0 m-85 -147.96 142.6 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 23.2 m170 -37.04 143.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 m -73.37 -18.81 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 -20.34 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.1 m -86.58 -26.85 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.05 -39.13 56.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 40' ' ' SER . 16.7 ptm180 -58.74 -50.24 74.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.38 -17.57 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 50.7 t-105 -77.97 -55.26 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -70.51 -15.95 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -32.0 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -124.2 -18.95 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -111.64 165.36 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -138.03 15.82 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -129.02 147.31 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.48 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -51.52 137.68 31.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.6 t -133.24 -51.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.181 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 12.6 p -101.79 -3.28 28.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 39.4 mtt-85 34.17 64.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.521 ' N ' HG22 ' A' ' 47' ' ' THR . 11.1 ttp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.462 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -114.75 166.79 10.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.2 Cg_endo -69.8 -24.76 29.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.733 2.288 . . . . 0.0 112.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.87 -48.06 33.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.08 -32.29 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.96 -42.31 90.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -19.31 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.37 7.85 10.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ptm -152.51 33.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.3 m-20 62.43 8.06 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.2 p-10 34.39 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -117.98 126.29 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -69.57 116.15 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.4 -46.61 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.754 HD13 ' HB3' ' A' ' 37' ' ' CYS . 21.2 mt -33.85 -53.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.227 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.47 -3.09 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 48.23 63.15 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -124.09 -94.61 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.2 tt0 -169.66 152.26 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 32' ' ' ILE . 30.3 mtm -128.74 105.37 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.12 -19.68 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t 176.55 155.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.09 4.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.18 160.52 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.873 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.8 mmmt -109.69 -178.91 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 16.4 ttp-105 -129.72 133.55 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.0 mt -87.29 153.35 53.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.696 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 2.93 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.4 p -106.31 1.23 25.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 8.5 t-20 82.81 48.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.8 m80 -147.66 120.27 8.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.6 mt -104.16 140.87 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . 45.2 m-85 -148.68 154.52 39.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -41.66 139.63 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 35' ' ' THR . 60.1 m -67.67 -16.83 64.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.2 p -94.83 -35.85 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.754 ' HB3' HD13 ' A' ' 15' ' ' ILE . 91.6 m -69.77 -37.24 76.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 42' ' ' PHE . 29.1 mt -63.47 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -50.23 -35.3 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 m -81.37 -23.63 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -79.32 -51.53 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HE2' HD22 ' A' ' 38' ' ' LEU . 64.2 m-85 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -34.86 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 3.3 mtm-85 -120.39 -22.61 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' A' ' 44' ' ' ARG . 17.7 mm-40 -108.46 175.77 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -148.8 39.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.789 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.86 146.19 24.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -52.82 135.67 46.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.74 2.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.622 2.215 . . . . 0.0 112.386 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.3 t -132.89 -46.58 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 11.9 p -108.62 -1.37 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.789 ' C ' HG22 ' A' ' 47' ' ' THR . 4.9 mpt_? 35.09 58.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.4 mtp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -81.45 159.26 67.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.199 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG22 ' A' ' 2' ' ' THR . 52.8 Cg_endo -69.88 -40.64 4.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.35 -32.11 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 26' ' ' ARG . 5.0 mm-40 -84.51 -33.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.552 HD21 HG21 ' A' ' 32' ' ' ILE . 9.7 mt -71.58 -39.5 70.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -22.16 63.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.31 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 ptm -140.52 34.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 62.49 7.98 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.9 p-10 34.25 37.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.8 t -117.35 124.86 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.7 t -67.75 116.58 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.98 -46.54 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.2 mt -34.96 -50.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.162 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.19 -2.6 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 4.8 mtm180 47.42 63.31 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -125.47 -94.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.7 tt0 -168.13 153.5 6.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 40.8 mtm -130.61 107.92 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.95 -23.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -172.24 176.02 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.48 58.17 14.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.51 161.03 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.822 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mmmt -109.39 -176.2 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 5' ' ' GLU . 46.5 ttp180 -136.01 120.67 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HE1' ' A' ' 33' ' ' PHE . 68.2 mt -75.3 153.44 86.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.14 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.296 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -107.39 5.46 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 81.86 16.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.4 m80 -112.32 109.62 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.4 mt -95.12 143.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB3' HD12 ' A' ' 15' ' ' ILE . 55.5 m-85 -149.92 162.73 39.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 24.8 m170 -52.81 139.68 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m -69.22 -17.94 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 3.8 m -94.79 -24.12 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 92.5 m -82.79 -32.54 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 18.5 mt -71.62 -38.57 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 30.5 ptt85 -61.72 -49.72 75.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 t -78.12 -18.49 55.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 55.6 t-105 -81.69 -39.71 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 17.3 m-85 -71.42 -10.67 60.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.77 -35.96 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -126.52 -10.76 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.09 90.52 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.64 9.89 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.839 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.71 141.23 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -42.28 135.92 2.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.748 2.299 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.3 t -135.96 -47.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.3 p -102.72 -1.68 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.839 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 33.66 64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.595 ' N ' HG22 ' A' ' 47' ' ' THR . 4.6 ttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -73.41 151.59 89.73 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.28 27.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -23.63 58.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -91.99 -38.78 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.07 -44.15 96.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -14.71 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 10.35 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.4 ptm -148.25 25.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.3 t0 73.07 -2.71 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 37.18 35.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.0 t -120.52 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 50.7 t -69.32 116.99 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.636 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.18 -46.4 87.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 37' ' ' CYS . 13.8 mt -33.84 -49.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 p -115.96 -3.39 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 49.17 62.71 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -123.18 -94.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.4 153.43 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG22 ' A' ' 32' ' ' ILE . 34.3 mtm -130.94 99.24 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -96.96 -22.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.07 156.07 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 42.87 7.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.58 161.75 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.87 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.4 mmmt -110.2 -177.03 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -126.4 139.12 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' HE1' ' A' ' 33' ' ' PHE . 49.1 mt -93.73 153.32 41.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.42 4.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 112.321 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.7 p -106.71 1.26 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.3 t-20 82.75 51.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 34.5 m170 -151.16 128.88 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.4 mt -109.69 137.25 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.746 ' HB3' HD12 ' A' ' 15' ' ' ILE . 34.4 m-85 -144.75 150.59 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -39.65 134.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -62.49 -16.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -37.39 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.757 ' HB3' HD13 ' A' ' 15' ' ' ILE . 94.3 m -67.66 -35.37 78.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 38' ' ' LEU . 20.7 mt -65.78 -58.49 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -56.36 -28.01 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -87.89 -26.76 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -48.58 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.37 -14.6 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -38.52 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 -26.12 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.39 175.89 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -148.5 32.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.742 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -140.6 132.87 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 1.9 t -40.28 134.53 1.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.2 t -127.03 -47.1 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.549 ' N ' ' CG2' ' A' ' 50' ' ' THR . 18.4 p -110.55 -4.5 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.742 ' C ' HG22 ' A' ' 47' ' ' THR . 10.0 mtm180 34.1 59.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 161.62 24.52 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.575 0.703 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.38 20.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.07 -48.7 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.57 -34.06 71.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.5 -50.56 66.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.96 -3.24 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.99 4.55 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 4.8 ptm -146.77 27.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.4 t0 76.84 -3.03 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.4 p-10 36.77 37.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -121.86 127.5 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 38.1 t -62.54 112.49 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.41 -46.61 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.7 mt -35.03 -53.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.79 0.74 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 46.81 59.07 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.47 -94.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -169.47 151.78 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.445 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 32.8 mtm -130.89 100.26 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.86 -24.06 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t 178.37 139.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.43 53.91 1.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.21 162.47 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.97 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 mmtt -109.39 -175.4 2.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -131.69 134.67 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.3 153.35 51.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.729 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 9.2 p -109.66 4.85 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.0 t-20 82.67 29.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 23.8 m170 -123.69 110.25 14.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.5 mt -98.92 132.65 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.724 ' HB3' HD12 ' A' ' 15' ' ' ILE . 19.0 m-85 -144.65 166.55 24.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 32.7 m170 -51.2 139.95 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 25' ' ' LYS . 3.0 m -68.34 -20.08 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -91.34 -33.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.732 ' HB3' HG21 ' A' ' 15' ' ' ILE . 72.5 m -70.02 -37.44 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 33' ' ' PHE . 39.1 mt -67.4 -52.26 41.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -58.82 -33.84 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t -87.76 -25.35 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -72.05 -47.61 50.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.97 -16.54 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -28.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -111.69 -32.58 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -108.96 -169.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.45 18.36 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.523 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -126.48 -177.8 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.78 134.27 34.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.737 ' C ' HG22 ' A' ' 50' ' ' THR . 53.6 Cg_endo -69.7 64.74 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 ' C ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.74 -66.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.529 ' H ' HG23 ' A' ' 50' ' ' THR . 27.6 p -89.63 -20.19 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.523 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 64.07 45.37 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 ppp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.927 0.394 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -129.8 164.67 38.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.649 0.738 . . . . 0.0 111.089 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.6 Cg_endo -69.7 -24.92 29.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 -49.6 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.22 -35.76 78.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -65.41 -50.76 64.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -11.26 58.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.35 12.55 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -153.39 25.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 9' ' ' MET . 10.0 t0 79.31 -9.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.5 p-10 43.07 32.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -120.99 129.07 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.5 t -62.99 111.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.24 -46.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' A' ' 37' ' ' CYS . 19.0 mt -34.14 -54.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' SG ' ' CD ' ' A' ' 18' ' ' GLU . 27.2 p -111.54 -1.73 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 53.3 mtm-85 50.17 59.75 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 81.5 mt-10 -115.68 -94.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.1 tt0 -172.96 148.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.518 ' SD ' HG22 ' A' ' 32' ' ' ILE . 27.9 mtm -128.38 99.92 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 m -101.61 -19.67 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t 177.1 139.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 56.59 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.27 39.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.838 ' O ' HG23 ' A' ' 32' ' ' ILE . 6.1 mmtt -109.48 173.87 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -126.17 132.86 51.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 96.8 mt -88.18 153.39 51.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.608 2.205 . . . . 0.0 112.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 7.2 p -106.09 1.12 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 7.0 t-20 82.68 45.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 36.0 m80 -142.51 119.67 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.5 mt -108.12 141.92 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.673 ' HB3' HD12 ' A' ' 15' ' ' ILE . 32.9 m-85 -149.89 163.94 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -53.01 128.99 29.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 82.2 m -56.74 -16.65 6.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.91 -36.95 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.771 ' HB3' HD13 ' A' ' 15' ' ' ILE . 83.8 m -68.15 -27.35 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 42' ' ' PHE . 22.9 mt -80.43 -38.74 29.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 35' ' ' THR . 12.1 mmm-85 -60.09 -41.28 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -39.43 17.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.516 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 11.9 t-105 -62.66 -43.7 98.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 38' ' ' LEU . 12.6 m-85 -66.76 -20.09 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -88.71 -8.72 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -126.83 -10.64 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HB2' ' CD1' ' A' ' 41' ' ' TRP . 31.7 mm-40 -125.5 -64.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER 83.2 20.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.717 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -154.24 136.71 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -34.12 134.56 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.516 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.1 Cg_endo -69.83 3.49 2.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -132.13 -53.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.616 ' N ' HG23 ' A' ' 50' ' ' THR . 11.0 p -100.81 -2.73 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.717 ' C ' HG22 ' A' ' 47' ' ' THR . 2.6 mmt-85 33.81 71.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.642 ' N ' HG22 ' A' ' 47' ' ' THR . 11.5 mtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.52 162.61 22.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.58 29.46 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -73.72 -50.04 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 -45.07 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 32' ' ' ILE . 7.1 mt -54.96 -29.76 57.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.47 30.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.65 16.75 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.575 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.7 OUTLIER -154.06 20.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER 82.88 -6.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 42.32 26.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -120.54 129.64 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.8 t -65.32 113.57 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -64.34 -46.34 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.8 mt -33.99 -53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.16 0.76 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.4 mtm-85 47.32 58.62 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -113.36 -94.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.72 148.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.674 ' SD ' HG22 ' A' ' 32' ' ' ILE . 25.5 mtm -130.33 100.92 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -23.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.7 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.04 56.24 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.68 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 mmmt -109.41 -175.73 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -125.88 137.03 53.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 33' ' ' PHE . 34.3 mt -92.22 153.46 43.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.81 3.28 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.5 t-20 82.82 53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.0 m80 -153.2 123.4 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.1 mt -100.21 135.76 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.616 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.0 m-85 -146.73 154.64 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -46.75 139.57 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -67.01 -17.14 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.8 -33.38 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.746 ' HB3' HG21 ' A' ' 15' ' ' ILE . 95.4 m -74.73 -26.92 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 38' ' ' LEU . 15.1 mt -75.79 -50.92 13.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -65.71 -25.7 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.9 m -90.88 -24.16 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -78.07 -45.04 24.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.94 -16.54 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.05 -34.86 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.82 -13.73 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -130.49 -179.99 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -153.58 26.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.37 128.13 23.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 1.8 t -38.14 133.58 0.92 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 4.4 t -128.44 -47.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.133 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 16.4 p -107.77 -4.96 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' C ' HG22 ' A' ' 47' ' ' THR . 1.6 mmt180 33.62 55.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 53' ' ' MET . 2.5 mtp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.0 p -67.83 152.69 96.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.23 -34.19 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -79.54 -37.28 36.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD21 HG21 ' A' ' 32' ' ' ILE . 5.8 mt -64.37 -53.68 44.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -7.25 17.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.24 16.93 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.475 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -159.85 29.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 81.13 -14.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 42.4 31.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.6 t -117.72 126.92 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.1 t -65.39 114.68 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.63 -46.7 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.0 mt -34.54 -51.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.09 -2.22 13.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 48.62 61.74 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -121.75 -94.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tt0 -170.14 147.87 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 29.6 mtm -124.35 102.76 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.42 -22.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -179.53 163.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.5 52.22 10.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.04 161.42 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.2 mmtt -109.43 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -130.91 129.93 42.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.83 153.19 60.48 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.618 0.723 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 2.75 3.19 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -105.23 -0.71 26.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.534 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 7.4 t30 82.77 50.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.6 m80 -149.6 116.28 5.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.3 mt -102.03 143.86 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.1 m-85 -149.92 153.47 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 30.0 m170 -47.36 129.94 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -58.1 -29.93 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -80.27 -36.92 33.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 89.1 m -70.49 -29.59 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' CE2' ' A' ' 42' ' ' PHE . 18.3 mt -70.43 -38.89 74.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 6.3 mmm-85 -64.72 -48.98 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -77.5 -13.84 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 58.1 t-105 -87.82 -43.62 11.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CE2' HD22 ' A' ' 38' ' ' LEU . 26.1 m-85 -70.95 -6.8 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -37.47 83.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -126.58 -10.7 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.82 90.0 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -80.13 43.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.509 HG22 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -156.7 148.36 22.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -47.17 134.17 9.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 2.98 3.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.3 t -133.66 -50.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.175 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.618 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -96.93 -5.21 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' C ' HG22 ' A' ' 47' ' ' THR . 45.1 mtm-85 34.1 59.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.509 ' N ' HG22 ' A' ' 47' ' ' THR . 34.8 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.46 159.6 63.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.29 20.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.612 2.208 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 10.3 tt0 -71.23 -34.42 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 26' ' ' ARG . 45.3 mm-40 -83.04 -33.55 26.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 32' ' ' ILE . 16.3 mt -69.38 -56.63 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -2.83 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -100.94 14.15 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -157.11 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 75.1 -5.17 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 35.04 33.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.9 t -119.82 128.49 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.2 t -63.89 113.13 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.56 -46.63 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 37' ' ' CYS . 13.5 mt -33.91 -52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.77 0.71 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 47.41 59.11 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -114.57 -94.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.696 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.58 148.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.688 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 15.6 mtm -128.74 104.97 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.82 -22.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.74 -27.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.37 50.93 2.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 159.1 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.44 -176.98 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 5' ' ' GLU . 38.9 ttp180 -123.74 136.75 54.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 153.57 45.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 3.03 2.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.733 2.289 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -114.42 18.99 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER 67.42 48.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.7 m80 -144.67 109.6 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.846 HG21 HD21 ' A' ' 6' ' ' LEU . 4.4 mt -94.53 137.71 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 14' ' ' ILE . 45.6 m-85 -149.58 164.89 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -57.52 139.47 53.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -66.18 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -34.23 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.788 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.1 m -73.38 -35.48 65.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 33' ' ' PHE . 30.3 mt -67.32 -64.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -50.73 -31.88 17.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -86.26 -28.34 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -73.76 -40.79 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.37 -14.31 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -15.69 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -127.95 -29.42 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 102.59 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.54 60.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.78 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -162.21 155.92 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.477 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -60.79 138.4 93.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.619 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.9 t -132.63 -52.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.619 ' N ' HG23 ' A' ' 50' ' ' THR . 14.8 p -100.18 -3.58 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.78 ' C ' HG22 ' A' ' 47' ' ' THR . 4.6 mmm-85 34.43 63.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.557 ' N ' HG22 ' A' ' 47' ' ' THR . 7.4 tmm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.15 162.22 52.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -75.96 -34.64 59.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.944 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.5 mt -66.45 -55.91 13.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -2.68 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.66 16.99 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.671 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -157.01 26.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.5 t70 83.43 -21.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.944 ' OD1' HD22 ' A' ' 6' ' ' LEU . 11.4 t30 47.54 22.81 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 120.47 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' ARG . 31.9 t -62.84 115.15 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.14 -46.8 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.4 mt -36.92 -52.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -109.6 -0.8 18.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 44.69 63.05 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -128.42 -95.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.37 152.63 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 74.8 mtm -128.81 56.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -33.38 -37.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.1 t -179.67 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.08 64.9 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.72 161.8 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.868 ' HG3' HG23 ' A' ' 35' ' ' THR . 5.7 mmtt -109.29 165.8 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -112.02 144.96 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 75.0 mt -101.45 154.0 37.51 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.6 3.57 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 32.9 t30 82.97 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 31.4 m170 -147.98 115.8 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 20' ' ' MET . 4.6 mt -94.41 135.82 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.7 m-85 -147.94 148.17 30.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.582 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.7 m170 -44.04 141.13 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.868 HG23 ' HG3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -69.71 -24.09 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.9 p -87.99 -30.25 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.3 m -75.62 -41.3 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 34.0 mt -64.16 -62.77 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -48.4 -26.51 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -94.27 -19.98 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' LEU . 42.8 t-105 -82.75 -47.21 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 28.0 m-85 -66.65 -18.76 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.42 -9.57 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.16 -34.34 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -130.52 104.37 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.23 46.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -144.17 125.7 14.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -34.79 136.39 0.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.37 2.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.624 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.2 t -131.05 -51.45 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.624 ' N ' HG23 ' A' ' 50' ' ' THR . 17.1 p -103.84 -3.06 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 47' ' ' THR . 7.0 mpt_? 34.12 39.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 53' ' ' MET . 44.1 ttp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.36 161.06 55.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -26.63 27.77 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.76 2.307 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -80.55 -46.54 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -69.98 -29.58 66.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD23 HD13 ' A' ' 32' ' ' ILE . 7.6 mt -72.46 -61.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -8.41 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -93.31 16.72 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.582 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.3 OUTLIER -158.47 30.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 8.7 t0 83.01 -19.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 39.64 34.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.46 122.7 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -64.91 115.5 5.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.11 -46.52 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.717 HG21 ' HB3' ' A' ' 37' ' ' CYS . 19.5 mt -35.72 -53.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.8 -3.92 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' CYS . 13.2 mtm180 48.64 62.86 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -127.49 -95.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.42 152.57 20.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG22 ' A' ' 32' ' ' ILE . 24.9 mtm -132.72 105.9 7.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 22' ' ' THR . 27.1 m -117.0 -47.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.26 176.92 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' THR . . . 34.04 68.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 144.7 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.928 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.9 mmtt -109.3 177.12 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -130.38 111.98 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.664 HD12 ' HE1' ' A' ' 33' ' ' PHE . 72.4 mt -65.45 153.44 90.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.86 3.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.3 p -106.46 0.05 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.8 t30 82.85 52.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.5 m80 -152.86 116.09 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 25' ' ' LYS . 8.3 mt -94.52 143.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' ' 27' ' ' LEU . 56.0 m-85 -148.96 142.83 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLU . 22.9 m170 -43.97 131.58 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -57.21 -19.77 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -93.01 -42.13 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.717 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.0 m -67.95 -21.31 65.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 33' ' ' PHE . 22.9 mt -77.45 -59.18 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.36 -21.16 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.421 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 2.5 t -93.4 -21.95 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -81.5 -52.44 7.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.7 -15.26 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -26.65 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 40' ' ' SER . 45.9 mtt85 -123.95 -26.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 177.4 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -144.98 27.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.816 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.26 145.47 45.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -48.39 137.51 11.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.5 t -135.93 -49.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.577 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -99.12 -3.29 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.816 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 34.45 62.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.592 ' N ' HG22 ' A' ' 47' ' ' THR . 11.2 tmm? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.823 0.344 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 159.94 32.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 111.186 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -25.96 27.98 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -77.35 -38.93 49.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.36 -41.74 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.59 7.1 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptm -150.42 33.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.6 m-20 62.39 8.12 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p-10 34.31 36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.7 t -118.15 127.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.3 t -68.96 116.64 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.07 -46.54 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.734 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.6 mt -33.85 -49.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -115.76 -3.29 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 20.7 mtm-85 49.26 62.4 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -122.2 -94.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.6 tt0 -170.75 151.25 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 30.1 mtm -130.13 100.7 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.63 -28.54 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -175.23 139.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.45 50.24 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.12 164.66 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -112.95 -178.06 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -130.15 130.21 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.36 152.73 61.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.79 3.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -106.3 -0.2 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.7 t-20 82.81 48.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 34.0 m80 -148.04 109.4 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.9 mt -94.53 140.74 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.677 ' HB3' HD12 ' A' ' 15' ' ' ILE . 56.3 m-85 -149.86 154.15 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 27.5 m170 -42.3 137.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -66.17 -17.96 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -94.0 -32.06 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.734 ' HB3' HG21 ' A' ' 15' ' ' ILE . 90.4 m -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.94 -66.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -48.19 -25.8 1.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -92.77 -26.27 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -77.39 -44.04 30.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.0 -20.23 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -9.14 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -134.33 -34.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -128.97 103.91 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 50.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.9 141.84 21.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -48.07 138.73 10.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.82 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.33 3.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.4 t -134.91 -51.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 5.0 p -99.67 -2.62 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.682 ' O ' HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER 34.27 42.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.533 ' O ' HG13 ' A' ' 55' ' ' VAL . 11.3 ttp -102.49 116.08 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -34.49 126.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' MET . 4.5 m -126.11 -45.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -87.89 155.64 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.92 29.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.06 -41.68 58.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.72 -31.43 57.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.25 -49.69 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -12.51 61.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.69 -4.93 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.3 ptm -136.46 28.67 3.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' MET . 29.3 t0 76.04 -6.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.3 p-10 39.94 33.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -119.35 127.67 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.7 t -68.86 116.47 9.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.08 -46.37 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.5 mt -33.93 -50.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.7 -3.58 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . 19.7 mtm180 49.52 62.35 2.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -122.84 -94.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -170.24 150.99 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.517 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.1 mtm -128.12 88.56 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 22' ' ' THR . 14.1 m -87.15 -31.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.516 HG22 HG23 ' A' ' 21' ' ' VAL . 10.3 t -170.22 147.94 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.13 56.3 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.32 162.12 40.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.2 mmmt -113.61 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.71 134.54 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.3 153.38 48.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 0.77 5.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.204 . . . . 0.0 112.388 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 5.0 p -106.59 0.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 t-20 82.74 52.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 36.4 m80 -152.08 114.02 4.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.756 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.9 mt -98.85 142.39 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.5 m-85 -149.67 155.24 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -44.13 132.66 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 m -61.57 -17.13 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.739 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.2 m -72.75 -28.61 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -72.63 -55.72 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -30.25 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -88.38 -22.52 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.3 -42.5 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -74.88 -17.59 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -32.39 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -115.58 -25.33 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.93 173.69 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -143.63 38.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -150.86 148.25 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.05 138.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.74 1.72 4.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.9 t -134.5 -51.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 2.5 p -97.29 -4.45 38.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER 34.15 63.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 16.6 ttp -127.68 120.02 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.1 OUTLIER -36.59 126.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.546 HG23 HD12 ' A' ' 56' ' ' LEU . 5.5 m -123.91 -51.15 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 55' ' ' VAL . 2.7 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.521 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -93.17 164.76 20.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.711 . . . . 0.0 111.158 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' HD2' HG22 ' A' ' 2' ' ' THR . 53.9 Cg_endo -69.71 -43.47 2.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.68 -44.27 93.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -35.0 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 32' ' ' ILE . 8.7 mt -66.42 -45.47 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -4.06 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.75 11.91 33.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.7 ptm -152.83 25.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 t0 78.64 -9.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 39.41 34.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' ASP . 4.2 t -118.42 127.61 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.9 t -69.38 116.59 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.67 -46.47 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.742 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.5 mt -33.84 -48.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -117.2 -3.35 11.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 17.7 mtm180 49.34 62.41 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -122.14 -94.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -172.12 148.01 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.7 mtm -124.45 95.79 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.04 -25.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 t -177.03 152.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.24 50.39 4.84 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.33 42.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 mmtp -109.53 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -123.05 146.86 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.27 153.39 37.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 1.43 4.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.271 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.14 0.61 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 3.5 t-20 82.61 52.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.8 m80 -151.2 109.33 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.2 mt -95.43 138.02 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.2 m-85 -145.1 149.64 35.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -38.92 137.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 m -69.49 -17.78 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -94.8 -22.19 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.742 ' HB3' HG21 ' A' ' 15' ' ' ILE . 84.7 m -84.71 -32.65 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.22 -38.31 72.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 31.4 ptt180 -60.78 -50.39 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -18.82 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 37.1 t-105 -77.95 -49.13 14.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -75.82 -15.57 60.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.49 -28.12 63.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -124.21 -20.53 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -113.67 164.01 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -135.2 26.81 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.55 161.48 35.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 138.26 96.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.7 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.621 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.4 t -136.12 -50.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' N ' HG23 ' A' ' 50' ' ' THR . 1.8 p -97.44 -3.16 40.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.639 ' C ' HG22 ' A' ' 47' ' ' THR . 2.1 ttp180 34.43 47.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -108.7 121.73 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -41.13 120.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 m -113.6 -45.33 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' HB1' ' HG ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.921 0.391 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.89 160.6 79.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.526 0.679 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.83 29.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -55.39 4.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.85 -26.07 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.684 HD21 HG21 ' A' ' 32' ' ' ILE . 10.8 mt -76.16 -55.12 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.15 7.94 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -151.49 28.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.0 t0 75.14 -5.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 36.55 34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.2 t -118.75 129.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.6 t -68.22 115.63 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.68 -46.5 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -34.04 -50.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -115.75 -1.03 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 15.9 mtm180 47.36 60.84 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.04 -94.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -173.24 147.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.632 ' SD ' HG22 ' A' ' 32' ' ' ILE . 25.6 mtm -128.67 96.22 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.64 -21.59 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t 174.65 -27.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.34 54.15 2.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.562 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 161.11 43.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.064 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.55 -177.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -125.16 139.07 54.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 56.3 mt -94.64 153.41 40.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.86 3.14 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.16 2.89 19.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.1 t-20 82.59 53.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 38.5 m80 -152.05 114.67 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.1 mt -94.46 136.32 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 14' ' ' ILE . 61.2 m-85 -147.33 146.65 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 26.9 m170 -39.74 141.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -70.94 -19.59 62.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -92.44 -28.93 16.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.735 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.8 m -79.88 -30.23 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.2 mt -72.43 -48.3 42.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -59.55 -33.72 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.52 -27.49 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 30.1 t-105 -70.96 -43.16 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.23 -15.27 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -28.75 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -115.43 -28.24 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -122.32 -173.79 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -148.06 14.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.791 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.73 151.03 35.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -58.24 138.13 84.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 110.88 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.3 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.6 t -134.36 -50.39 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 50' ' ' THR . 8.4 p -100.34 -3.49 31.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.791 ' C ' HG22 ' A' ' 47' ' ' THR . 29.7 mtt-85 34.53 61.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.503 ' O ' HG13 ' A' ' 55' ' ' VAL . 7.4 tmm? -124.4 117.04 23.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' MET . 2.2 t70 -34.34 123.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 53' ' ' MET . 3.5 m -122.32 -39.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.24 160.12 65.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -29.02 24.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.6 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -71.07 -34.66 71.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 32' ' ' ILE . 6.3 mt -67.42 -50.99 57.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -5.31 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 12.19 29.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -154.09 27.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t0 78.33 -9.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 37.68 35.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -118.62 127.46 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -70.14 117.31 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.63 -46.55 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.71 HG21 ' HB3' ' A' ' 37' ' ' CYS . 15.8 mt -34.07 -48.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.33 -3.24 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 50.9 mtm-85 48.54 62.79 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -123.83 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -171.24 151.16 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.584 ' SD ' HG22 ' A' ' 32' ' ' ILE . 23.4 mtm -126.85 93.17 3.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 22' ' ' THR . 16.1 m -90.92 -28.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 HG23 ' A' ' 21' ' ' VAL . 3.7 t -170.21 157.89 6.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 57.37 4.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.04 44.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -111.69 -179.31 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -130.97 135.48 47.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.2 153.23 46.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.39 3.61 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -106.55 0.0 24.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 6.6 t-20 82.82 45.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.1 m80 -144.54 109.4 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -97.6 140.45 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 15' ' ' ILE . 50.4 m-85 -147.57 156.46 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -45.4 138.33 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -64.58 -19.66 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -92.66 -38.98 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.7 m -67.83 -24.84 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 33' ' ' PHE . 26.0 mt -76.89 -55.39 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -54.31 -25.44 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.47 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -77.43 -43.07 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -69.01 -10.05 55.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.75 -38.67 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -126.2 -11.43 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -139.14 94.98 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' N ' ' OE1' ' A' ' 46' ' ' GLN . 1.9 pm0 -74.84 4.86 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.632 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -98.9 146.89 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -52.19 139.46 35.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 53.1 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 51' ' ' CYS . 8.9 t -134.03 -52.34 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' N ' HG23 ' A' ' 50' ' ' THR . 4.4 p -97.63 -3.77 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.632 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 33.85 44.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . 36.5 ttp -102.56 114.69 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.2 OUTLIER -35.71 127.58 0.66 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.5 m -116.86 -40.44 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.51 161.53 78.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 111.078 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -36.22 10.87 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.239 . . . . 0.0 112.275 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -46.23 81.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.19 -27.94 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 32' ' ' ILE . 8.3 mt -75.15 -58.27 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.45 -6.73 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 16.48 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -159.9 31.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 76.35 -6.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 36.64 31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.9 t -120.03 129.14 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -66.75 114.82 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.4 -46.52 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -33.67 -50.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.16 -0.13 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.623 ' NH1' HD11 ' A' ' 14' ' ' ILE . 3.6 mtt-85 47.5 59.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -115.3 -94.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -174.59 147.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.642 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 25.3 mtm -127.65 101.5 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.02 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -179.66 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.56 59.68 2.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.61 159.75 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.727 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.4 mmtt -109.89 176.27 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -120.07 143.61 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.99 153.34 37.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.48 3.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.329 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.84 2.47 19.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 28.5 t30 82.75 52.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.3 m80 -152.22 113.4 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.2 mt -94.5 136.58 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.3 m-85 -146.89 153.53 40.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -44.39 140.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -69.91 -17.5 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.0 p -94.82 -29.87 14.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.748 ' HB3' HG21 ' A' ' 15' ' ' ILE . 94.7 m -78.39 -32.67 48.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.46 -56.84 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -59.32 -25.16 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 m -91.88 -22.25 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -78.82 -48.4 14.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -45.3 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -118.64 -16.46 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.0 173.5 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -148.65 39.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -146.77 143.74 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.405 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -52.77 138.17 43.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.695 0.76 . . . . 0.0 110.897 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.73 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.3 t -135.26 -50.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.613 ' N ' HG23 ' A' ' 50' ' ' THR . 4.9 p -99.94 -3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.628 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 34.67 46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.471 ' O ' HG13 ' A' ' 55' ' ' VAL . 14.3 ttp -109.31 115.95 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.5 OUTLIER -34.39 125.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 53' ' ' MET . 6.1 m -120.7 -42.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.42 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -101.5 165.06 14.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 54.2 Cg_endo -69.75 -24.94 29.18 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -47.16 51.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -77.92 -23.79 48.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -75.08 -49.28 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -10.54 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.3 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' CE ' ' A' ' 9' ' ' MET . 1.1 ptm -154.43 27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.6 t0 75.54 -4.94 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.8 p-10 40.61 33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.4 t -119.74 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.9 t -66.35 114.28 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.03 -46.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.763 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.1 mt -33.86 -53.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.35 -4.07 14.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.9 mtm-85 51.25 61.96 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -121.22 -94.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.2 150.96 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 32' ' ' ILE . 28.1 mtm -128.07 100.23 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.58 -22.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.24 161.39 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 54.96 8.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.5 159.26 43.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -109.46 -179.77 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -130.64 123.98 30.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -79.03 153.34 77.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.9 p -106.56 -0.35 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 2.4 t30 82.83 43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 37.7 m80 -142.46 111.04 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -96.44 142.19 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 15' ' ' ILE . 52.7 m-85 -149.89 153.69 37.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -41.92 132.35 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 m -62.05 -18.36 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -93.37 -34.19 13.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.763 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.5 m -74.61 -24.57 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 42' ' ' PHE . 15.4 mt -77.22 -48.24 18.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -64.71 -25.92 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 -20.5 19.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 45' ' ' GLN . 8.5 t-105 -86.79 -52.4 5.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.966 ' CE2' HD22 ' A' ' 38' ' ' LEU . 24.9 m-85 -66.71 -8.86 30.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -45.14 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -126.76 -10.57 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' ' CD2' ' A' ' 41' ' ' TRP . 0.5 OUTLIER -76.01 -75.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.1 OUTLIER 82.82 20.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -156.86 128.11 6.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -34.28 136.61 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.4 Cg_endo -69.76 2.95 3.07 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 51' ' ' CYS . 14.9 t -136.03 -51.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.631 ' N ' HG23 ' A' ' 50' ' ' THR . 1.5 p -97.15 -2.7 42.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' ARG . 1.9 mpt_? 34.13 64.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.61 ' O ' HG13 ' A' ' 55' ' ' VAL . 17.4 ttp -120.66 121.62 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 t0 -41.67 119.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 53' ' ' MET . 11.3 m -133.93 -45.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.48 157.65 89.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.36 28.49 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.98 -44.75 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -69.06 -30.69 69.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 32' ' ' ILE . 7.6 mt -72.26 -47.43 50.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -3.32 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.3 14.64 28.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.462 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.4 ptm -156.23 27.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 9' ' ' MET . 5.6 t0 80.4 -11.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.2 p-10 43.89 30.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.4 t -120.79 129.04 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.7 t -64.74 113.65 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.92 -46.6 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.0 mt -33.88 -51.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.19 0.42 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 47.4 59.25 4.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -114.97 -94.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.661 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.28 147.66 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 17.7 mtm -126.5 105.82 9.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.2 -22.62 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 t 174.97 -27.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.45 52.25 2.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.67 155.49 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.0 mmtt -109.44 -178.94 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -119.37 142.94 47.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.85 153.42 38.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 2.82 3.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.72 2.6 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 16.0 t30 82.86 52.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.2 m80 -152.63 117.16 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.2 mt -98.61 136.41 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 15' ' ' ILE . 51.7 m-85 -147.63 163.6 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -55.74 140.75 40.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.96 -26.23 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -85.69 -34.13 21.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.723 ' HB3' HG21 ' A' ' 15' ' ' ILE . 97.7 m -73.09 -36.28 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 33.2 mt -67.65 -57.51 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -58.7 -27.38 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 m -90.48 -24.82 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' HG23 ' A' ' 15' ' ' ILE . 32.9 t-105 -78.36 -41.75 32.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.606 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 23.9 m-85 -71.0 -17.59 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -9.96 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -134.54 -34.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.15 104.64 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.67 47.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.97 143.36 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -51.98 136.69 37.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.69 . . . . 0.0 110.881 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.87 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -132.02 -51.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 13.8 p -101.95 -3.68 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER 33.88 55.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.4 ttp -117.54 18.75 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 55' ' ' VAL . 6.3 t0 57.93 162.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 3.2 m -156.95 -47.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.52 158.66 33.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.69 23.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.38 -44.85 50.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.42 -32.38 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -68.6 -54.59 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -5.21 12.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.21 10.19 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -152.82 27.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.7 t0 80.57 -13.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 41.91 35.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.2 t -120.03 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.2 t -67.31 115.16 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.67 -46.6 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.143 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.3 mt -34.16 -50.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.22 -1.56 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . 44.8 mtm-85 48.04 61.25 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -119.3 -94.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -172.27 148.07 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.692 ' SD ' HG22 ' A' ' 32' ' ' ILE . 22.5 mtm -125.25 105.47 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.19 -26.65 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t 177.24 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.17 55.96 2.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.69 158.64 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.058 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.8 mmmt -109.38 178.25 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -121.14 141.52 50.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.19 153.43 38.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.91 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.68 2.22 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.4 t30 82.62 52.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.6 m80 -151.58 113.37 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.3 mt -94.56 135.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 31' ' ' HIS . 52.9 m-85 -146.71 148.04 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -40.17 142.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -73.63 -18.53 61.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.473 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 28.7 p -94.47 -22.83 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' HB3' HG21 ' A' ' 15' ' ' ILE . 91.2 m -83.09 -33.41 26.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.65 -39.8 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 24.0 ptt180 -59.96 -50.08 75.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -77.95 -18.64 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.445 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 31.3 t-105 -77.63 -50.09 13.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -76.4 -22.27 54.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -26.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -124.59 -23.0 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -113.01 168.22 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 1.9 tt0 -138.08 31.75 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.646 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.44 164.47 29.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -72.32 138.08 81.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.63 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -135.08 -51.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 50' ' ' THR . 12.3 p -101.35 -0.57 35.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.646 ' C ' HG22 ' A' ' 47' ' ' THR . 22.9 mtp180 34.33 45.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 51' ' ' CYS . 1.6 ppp? -105.07 123.28 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.489 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 5.7 t0 -45.22 118.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.22 -42.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.98 159.38 32.79 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.75 27.18 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -80.27 -46.82 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 10.1 mm-40 -71.62 -30.89 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.941 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.9 mt -67.03 -54.13 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -2.31 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.96 7.83 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.714 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -147.2 24.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' MET . 7.4 t0 83.09 -19.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.941 ' OD1' HD22 ' A' ' 6' ' ' LEU . 10.8 t30 46.9 20.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.8 119.07 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.5 t -63.24 115.42 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.84 -47.01 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.166 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 21.0 mt -34.97 -53.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.84 -3.29 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 57.5 mtm-85 48.43 63.01 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -129.08 -95.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 1.0 OUTLIER -165.06 152.66 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.584 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 64.1 mtm -126.17 58.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -36.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 t -168.66 164.98 12.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.64 3.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.6 159.23 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -110.95 177.06 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 5' ' ' GLU . 39.1 ttm-85 -125.52 150.2 47.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 ' HE1' ' A' ' 33' ' ' PHE . 77.6 mt -102.79 153.36 38.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.86 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -108.06 1.64 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 29.0 t30 82.75 52.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.9 m80 -151.65 120.18 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 25' ' ' LYS . 95.8 mt -101.94 138.35 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 53.0 m-85 -147.96 142.6 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 23.2 m170 -37.04 143.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 m -73.37 -18.81 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 -20.34 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.1 m -86.58 -26.85 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.05 -39.13 56.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 40' ' ' SER . 16.7 ptm180 -58.74 -50.24 74.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.38 -17.57 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 50.7 t-105 -77.97 -55.26 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -70.51 -15.95 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -32.0 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -124.2 -18.95 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -111.64 165.36 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -138.03 15.82 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -129.02 147.31 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.48 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -51.52 137.68 31.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.6 t -133.24 -51.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.181 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 12.6 p -101.79 -3.28 28.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 39.4 mtt-85 34.17 64.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.521 ' N ' HG22 ' A' ' 47' ' ' THR . 11.1 ttp -126.66 115.67 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' MET . 1.2 t70 -35.28 122.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 53' ' ' MET . 10.5 m -119.08 -34.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.462 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -114.75 166.79 10.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.2 Cg_endo -69.8 -24.76 29.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.733 2.288 . . . . 0.0 112.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.87 -48.06 33.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.08 -32.29 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.96 -42.31 90.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -19.31 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.37 7.85 10.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ptm -152.51 33.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.3 m-20 62.43 8.06 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.2 p-10 34.39 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -117.98 126.29 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -69.57 116.15 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.4 -46.61 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.754 HD13 ' HB3' ' A' ' 37' ' ' CYS . 21.2 mt -33.85 -53.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.227 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.47 -3.09 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 48.23 63.15 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -124.09 -94.61 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.2 tt0 -169.66 152.26 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 32' ' ' ILE . 30.3 mtm -128.74 105.37 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.12 -19.68 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t 176.55 155.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.09 4.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.18 160.52 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.873 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.8 mmmt -109.69 -178.91 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 16.4 ttp-105 -129.72 133.55 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.0 mt -87.29 153.35 53.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.696 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 2.93 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.4 p -106.31 1.23 25.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 8.5 t-20 82.81 48.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.8 m80 -147.66 120.27 8.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.6 mt -104.16 140.87 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . 45.2 m-85 -148.68 154.52 39.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -41.66 139.63 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 35' ' ' THR . 60.1 m -67.67 -16.83 64.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.2 p -94.83 -35.85 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.754 ' HB3' HD13 ' A' ' 15' ' ' ILE . 91.6 m -69.77 -37.24 76.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 42' ' ' PHE . 29.1 mt -63.47 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -50.23 -35.3 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 m -81.37 -23.63 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -79.32 -51.53 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HE2' HD22 ' A' ' 38' ' ' LEU . 64.2 m-85 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -34.86 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 3.3 mtm-85 -120.39 -22.61 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' A' ' 44' ' ' ARG . 17.7 mm-40 -108.46 175.77 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -148.8 39.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.789 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.86 146.19 24.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -52.82 135.67 46.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.74 2.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.622 2.215 . . . . 0.0 112.386 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.3 t -132.89 -46.58 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 11.9 p -108.62 -1.37 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.789 ' C ' HG22 ' A' ' 47' ' ' THR . 4.9 mpt_? 35.09 58.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.869 ' O ' HG13 ' A' ' 55' ' ' VAL . 11.4 mtp -110.27 112.16 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' MET . 1.3 t70 -34.29 118.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.869 HG13 ' O ' ' A' ' 53' ' ' MET . 19.7 m -136.33 -39.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -81.45 159.26 67.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.199 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG22 ' A' ' 2' ' ' THR . 52.8 Cg_endo -69.88 -40.64 4.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.35 -32.11 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 26' ' ' ARG . 5.0 mm-40 -84.51 -33.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.552 HD21 HG21 ' A' ' 32' ' ' ILE . 9.7 mt -71.58 -39.5 70.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -22.16 63.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.31 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 ptm -140.52 34.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 62.49 7.98 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.9 p-10 34.25 37.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.8 t -117.35 124.86 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.7 t -67.75 116.58 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.98 -46.54 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.2 mt -34.96 -50.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.162 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.19 -2.6 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 4.8 mtm180 47.42 63.31 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -125.47 -94.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.7 tt0 -168.13 153.5 6.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 40.8 mtm -130.61 107.92 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.95 -23.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -172.24 176.02 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.48 58.17 14.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.51 161.03 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.822 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mmmt -109.39 -176.2 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 5' ' ' GLU . 46.5 ttp180 -136.01 120.67 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HE1' ' A' ' 33' ' ' PHE . 68.2 mt -75.3 153.44 86.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.14 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.296 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -107.39 5.46 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 81.86 16.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.4 m80 -112.32 109.62 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.4 mt -95.12 143.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB3' HD12 ' A' ' 15' ' ' ILE . 55.5 m-85 -149.92 162.73 39.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 24.8 m170 -52.81 139.68 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m -69.22 -17.94 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 3.8 m -94.79 -24.12 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 92.5 m -82.79 -32.54 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 18.5 mt -71.62 -38.57 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 30.5 ptt85 -61.72 -49.72 75.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 t -78.12 -18.49 55.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 55.6 t-105 -81.69 -39.71 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 17.3 m-85 -71.42 -10.67 60.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.77 -35.96 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -126.52 -10.76 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.09 90.52 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.64 9.89 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.839 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.71 141.23 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -42.28 135.92 2.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.748 2.299 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.3 t -135.96 -47.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.3 p -102.72 -1.68 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.839 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 33.66 64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.65 ' O ' HG13 ' A' ' 55' ' ' VAL . 4.6 ttp -120.63 116.9 26.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' MET . 28.9 t0 -36.66 120.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 53' ' ' MET . 8.0 m -128.23 -49.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -73.41 151.59 89.73 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.28 27.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -23.63 58.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -91.99 -38.78 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.07 -44.15 96.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -14.71 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 10.35 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.4 ptm -148.25 25.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.3 t0 73.07 -2.71 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 37.18 35.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.0 t -120.52 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 50.7 t -69.32 116.99 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.636 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.18 -46.4 87.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 37' ' ' CYS . 13.8 mt -33.84 -49.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 p -115.96 -3.39 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 49.17 62.71 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -123.18 -94.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.4 153.43 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG22 ' A' ' 32' ' ' ILE . 34.3 mtm -130.94 99.24 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -96.96 -22.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.07 156.07 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 42.87 7.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.58 161.75 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.87 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.4 mmmt -110.2 -177.03 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -126.4 139.12 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' HE1' ' A' ' 33' ' ' PHE . 49.1 mt -93.73 153.32 41.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.42 4.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 112.321 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.7 p -106.71 1.26 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.3 t-20 82.75 51.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 34.5 m170 -151.16 128.88 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.4 mt -109.69 137.25 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.746 ' HB3' HD12 ' A' ' 15' ' ' ILE . 34.4 m-85 -144.75 150.59 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -39.65 134.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -62.49 -16.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -37.39 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.757 ' HB3' HD13 ' A' ' 15' ' ' ILE . 94.3 m -67.66 -35.37 78.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 38' ' ' LEU . 20.7 mt -65.78 -58.49 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -56.36 -28.01 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -87.89 -26.76 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -48.58 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.37 -14.6 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -38.52 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 -26.12 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.39 175.89 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -148.5 32.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.742 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -140.6 132.87 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 1.9 t -40.28 134.53 1.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.2 t -127.03 -47.1 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' N ' ' CG2' ' A' ' 50' ' ' THR . 18.4 p -110.55 -4.5 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.742 ' C ' HG22 ' A' ' 47' ' ' THR . 10.0 mtm180 34.1 59.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.0 ttp -115.08 6.11 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 55' ' ' VAL . 28.7 t0 70.56 148.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 27' ' ' LEU . 9.7 m -143.54 -42.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 161.62 24.52 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.575 0.703 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.38 20.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.07 -48.7 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.57 -34.06 71.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.5 -50.56 66.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.96 -3.24 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.99 4.55 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 4.8 ptm -146.77 27.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.4 t0 76.84 -3.03 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.4 p-10 36.77 37.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -121.86 127.5 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 38.1 t -62.54 112.49 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.41 -46.61 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.7 mt -35.03 -53.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.79 0.74 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 46.81 59.07 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.47 -94.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -169.47 151.78 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.445 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 32.8 mtm -130.89 100.26 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.86 -24.06 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t 178.37 139.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.43 53.91 1.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.21 162.47 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.97 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 mmtt -109.39 -175.4 2.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -131.69 134.67 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.3 153.35 51.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.729 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 9.2 p -109.66 4.85 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.0 t-20 82.67 29.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 23.8 m170 -123.69 110.25 14.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.5 mt -98.92 132.65 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.724 ' HB3' HD12 ' A' ' 15' ' ' ILE . 19.0 m-85 -144.65 166.55 24.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 32.7 m170 -51.2 139.95 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 25' ' ' LYS . 3.0 m -68.34 -20.08 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -91.34 -33.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.732 ' HB3' HG21 ' A' ' 15' ' ' ILE . 72.5 m -70.02 -37.44 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 33' ' ' PHE . 39.1 mt -67.4 -52.26 41.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -58.82 -33.84 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t -87.76 -25.35 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -72.05 -47.61 50.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 55' ' ' VAL . 63.4 m-85 -69.97 -16.54 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -28.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -111.69 -32.58 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -108.96 -169.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.45 18.36 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.523 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -126.48 -177.8 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.78 134.27 34.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.737 ' C ' HG22 ' A' ' 50' ' ' THR . 53.6 Cg_endo -69.7 64.74 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 ' C ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.74 -66.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.529 ' H ' HG23 ' A' ' 50' ' ' THR . 27.6 p -89.63 -20.19 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 64.07 45.37 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.518 ' SD ' HG13 ' A' ' 55' ' ' VAL . 3.1 ppp? -103.81 127.55 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.45 127.62 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 7.9 m -135.9 -42.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.927 0.394 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -129.8 164.67 38.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.649 0.738 . . . . 0.0 111.089 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.6 Cg_endo -69.7 -24.92 29.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 -49.6 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.22 -35.76 78.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -65.41 -50.76 64.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -11.26 58.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.35 12.55 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -153.39 25.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 9' ' ' MET . 10.0 t0 79.31 -9.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.5 p-10 43.07 32.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -120.99 129.07 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.5 t -62.99 111.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.24 -46.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' A' ' 37' ' ' CYS . 19.0 mt -34.14 -54.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' SG ' ' CD ' ' A' ' 18' ' ' GLU . 27.2 p -111.54 -1.73 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 53.3 mtm-85 50.17 59.75 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 81.5 mt-10 -115.68 -94.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.1 tt0 -172.96 148.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.518 ' SD ' HG22 ' A' ' 32' ' ' ILE . 27.9 mtm -128.38 99.92 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 m -101.61 -19.67 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t 177.1 139.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 56.59 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.27 39.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.838 ' O ' HG23 ' A' ' 32' ' ' ILE . 6.1 mmtt -109.48 173.87 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -126.17 132.86 51.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 96.8 mt -88.18 153.39 51.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.608 2.205 . . . . 0.0 112.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 7.2 p -106.09 1.12 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 7.0 t-20 82.68 45.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 36.0 m80 -142.51 119.67 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.5 mt -108.12 141.92 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.673 ' HB3' HD12 ' A' ' 15' ' ' ILE . 32.9 m-85 -149.89 163.94 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -53.01 128.99 29.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 82.2 m -56.74 -16.65 6.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.91 -36.95 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.771 ' HB3' HD13 ' A' ' 15' ' ' ILE . 83.8 m -68.15 -27.35 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 42' ' ' PHE . 22.9 mt -80.43 -38.74 29.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 35' ' ' THR . 12.1 mmm-85 -60.09 -41.28 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -39.43 17.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.516 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 11.9 t-105 -62.66 -43.7 98.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 38' ' ' LEU . 12.6 m-85 -66.76 -20.09 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -88.71 -8.72 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -126.83 -10.64 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HB2' ' CD1' ' A' ' 41' ' ' TRP . 31.7 mm-40 -125.5 -64.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER 83.2 20.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.717 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -154.24 136.71 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -34.12 134.56 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.516 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.1 Cg_endo -69.83 3.49 2.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -132.13 -53.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.616 ' N ' HG23 ' A' ' 50' ' ' THR . 11.0 p -100.81 -2.73 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.717 ' C ' HG22 ' A' ' 47' ' ' THR . 2.6 mmt-85 33.81 71.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.68 ' O ' HG13 ' A' ' 55' ' ' VAL . 11.5 mtm -126.79 113.15 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' MET . 53.5 t0 -35.35 119.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 53' ' ' MET . 27.8 m -118.18 -39.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD23 HG23 ' A' ' 55' ' ' VAL . 7.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.52 162.61 22.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.58 29.46 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -73.72 -50.04 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 -45.07 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 32' ' ' ILE . 7.1 mt -54.96 -29.76 57.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.47 30.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.65 16.75 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.575 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.7 OUTLIER -154.06 20.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER 82.88 -6.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 42.32 26.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -120.54 129.64 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.8 t -65.32 113.57 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -64.34 -46.34 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.8 mt -33.99 -53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.16 0.76 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.4 mtm-85 47.32 58.62 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -113.36 -94.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.72 148.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.674 ' SD ' HG22 ' A' ' 32' ' ' ILE . 25.5 mtm -130.33 100.92 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -23.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.7 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.04 56.24 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.68 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 mmmt -109.41 -175.73 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -125.88 137.03 53.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 33' ' ' PHE . 34.3 mt -92.22 153.46 43.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.81 3.28 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.5 t-20 82.82 53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.0 m80 -153.2 123.4 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.1 mt -100.21 135.76 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.616 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.0 m-85 -146.73 154.64 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -46.75 139.57 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -67.01 -17.14 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.8 -33.38 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.746 ' HB3' HG21 ' A' ' 15' ' ' ILE . 95.4 m -74.73 -26.92 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 38' ' ' LEU . 15.1 mt -75.79 -50.92 13.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -65.71 -25.7 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.9 m -90.88 -24.16 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -78.07 -45.04 24.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' HD13 ' A' ' 56' ' ' LEU . 22.9 m-85 -67.94 -16.54 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.05 -34.86 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.82 -13.73 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -130.49 -179.99 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 3.0 tt0 -153.58 26.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.37 128.13 23.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.14 133.58 0.92 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 4.4 t -128.44 -47.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.133 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 16.4 p -107.77 -4.96 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' C ' HG22 ' A' ' 47' ' ' THR . 1.6 mmt180 33.62 55.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.446 ' HE2' ' HB2' ' A' ' 53' ' ' MET . 2.5 mtp -108.74 -0.45 20.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' GLN . 28.0 t0 68.13 139.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.27 -43.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.0 p -67.83 152.69 96.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.23 -34.19 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -79.54 -37.28 36.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD21 HG21 ' A' ' 32' ' ' ILE . 5.8 mt -64.37 -53.68 44.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -7.25 17.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.24 16.93 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.475 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -159.85 29.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 81.13 -14.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 42.4 31.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.6 t -117.72 126.92 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.1 t -65.39 114.68 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.63 -46.7 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.0 mt -34.54 -51.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.09 -2.22 13.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 48.62 61.74 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -121.75 -94.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tt0 -170.14 147.87 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 29.6 mtm -124.35 102.76 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.42 -22.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -179.53 163.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.5 52.22 10.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.04 161.42 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.2 mmtt -109.43 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -130.91 129.93 42.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 55' ' ' VAL . 96.1 mt -84.83 153.19 60.48 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.618 0.723 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 2.75 3.19 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -105.23 -0.71 26.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.534 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 7.4 t30 82.77 50.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.6 m80 -149.6 116.28 5.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.3 mt -102.03 143.86 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.1 m-85 -149.92 153.47 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 30.0 m170 -47.36 129.94 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -58.1 -29.93 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -80.27 -36.92 33.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 89.1 m -70.49 -29.59 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' CE2' ' A' ' 42' ' ' PHE . 18.3 mt -70.43 -38.89 74.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 6.3 mmm-85 -64.72 -48.98 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -77.5 -13.84 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 58.1 t-105 -87.82 -43.62 11.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CE2' HD22 ' A' ' 38' ' ' LEU . 26.1 m-85 -70.95 -6.8 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -37.47 83.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -126.58 -10.7 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.82 90.0 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -80.13 43.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.509 HG22 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -156.7 148.36 22.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -47.17 134.17 9.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 2.98 3.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.3 t -133.66 -50.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.175 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.618 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -96.93 -5.21 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' C ' HG22 ' A' ' 47' ' ' THR . 45.1 mtm-85 34.1 59.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.509 ' N ' HG22 ' A' ' 47' ' ' THR . 34.8 ttp -131.96 120.6 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' MET . 9.1 t70 -34.71 126.53 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' LEU . 11.2 m -117.29 -45.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.552 ' H ' HD22 ' A' ' 56' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.46 159.6 63.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.29 20.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.612 2.208 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 10.3 tt0 -71.23 -34.42 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 26' ' ' ARG . 45.3 mm-40 -83.04 -33.55 26.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 32' ' ' ILE . 16.3 mt -69.38 -56.63 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -2.83 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -100.94 14.15 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -157.11 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 75.1 -5.17 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 35.04 33.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.9 t -119.82 128.49 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.2 t -63.89 113.13 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.56 -46.63 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 37' ' ' CYS . 13.5 mt -33.91 -52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.77 0.71 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 47.41 59.11 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -114.57 -94.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.696 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.58 148.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.688 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 15.6 mtm -128.74 104.97 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.82 -22.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.74 -27.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.37 50.93 2.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 159.1 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.44 -176.98 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 5' ' ' GLU . 38.9 ttp180 -123.74 136.75 54.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 153.57 45.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 3.03 2.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.733 2.289 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -114.42 18.99 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER 67.42 48.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.7 m80 -144.67 109.6 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.846 HG21 HD21 ' A' ' 6' ' ' LEU . 4.4 mt -94.53 137.71 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 14' ' ' ILE . 45.6 m-85 -149.58 164.89 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -57.52 139.47 53.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -66.18 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -34.23 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.788 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.1 m -73.38 -35.48 65.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 33' ' ' PHE . 30.3 mt -67.32 -64.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -50.73 -31.88 17.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -86.26 -28.34 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -73.76 -40.79 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.37 -14.31 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -15.69 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -127.95 -29.42 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 102.59 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.54 60.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.78 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -162.21 155.92 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.477 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -60.79 138.4 93.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.619 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.9 t -132.63 -52.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.619 ' N ' HG23 ' A' ' 50' ' ' THR . 14.8 p -100.18 -3.58 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.78 ' C ' HG22 ' A' ' 47' ' ' THR . 4.6 mmm-85 34.43 63.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.557 ' N ' HG22 ' A' ' 47' ' ' THR . 7.4 tmm? -129.61 116.45 18.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.8 OUTLIER -34.29 120.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 56' ' ' LEU . 3.1 m -114.32 -41.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.15 162.22 52.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -75.96 -34.64 59.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.944 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.5 mt -66.45 -55.91 13.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -2.68 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.66 16.99 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.671 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -157.01 26.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.5 t70 83.43 -21.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.944 ' OD1' HD22 ' A' ' 6' ' ' LEU . 11.4 t30 47.54 22.81 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 120.47 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' ARG . 31.9 t -62.84 115.15 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.14 -46.8 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.4 mt -36.92 -52.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -109.6 -0.8 18.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 44.69 63.05 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -128.42 -95.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.37 152.63 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 74.8 mtm -128.81 56.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -33.38 -37.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.1 t -179.67 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.08 64.9 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.72 161.8 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.868 ' HG3' HG23 ' A' ' 35' ' ' THR . 5.7 mmtt -109.29 165.8 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -112.02 144.96 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 75.0 mt -101.45 154.0 37.51 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.6 3.57 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 32.9 t30 82.97 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 31.4 m170 -147.98 115.8 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 20' ' ' MET . 4.6 mt -94.41 135.82 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.7 m-85 -147.94 148.17 30.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.582 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.7 m170 -44.04 141.13 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.868 HG23 ' HG3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -69.71 -24.09 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.9 p -87.99 -30.25 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.3 m -75.62 -41.3 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 34.0 mt -64.16 -62.77 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -48.4 -26.51 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -94.27 -19.98 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' LEU . 42.8 t-105 -82.75 -47.21 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 28.0 m-85 -66.65 -18.76 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.42 -9.57 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.16 -34.34 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -130.52 104.37 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.23 46.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -144.17 125.7 14.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -34.79 136.39 0.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.37 2.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.624 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.2 t -131.05 -51.45 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.624 ' N ' HG23 ' A' ' 50' ' ' THR . 17.1 p -103.84 -3.06 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 47' ' ' THR . 7.0 mpt_? 34.12 39.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 53' ' ' MET . 44.1 ttp -94.3 6.79 47.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 t0 63.64 143.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 27' ' ' LEU . 1.7 m -134.41 -44.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.36 161.06 55.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -26.63 27.77 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.76 2.307 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -80.55 -46.54 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -69.98 -29.58 66.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD23 HD13 ' A' ' 32' ' ' ILE . 7.6 mt -72.46 -61.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -8.41 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -93.31 16.72 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -158.47 30.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 8.7 t0 83.01 -19.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 39.64 34.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.46 122.7 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -64.91 115.5 5.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.11 -46.52 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.717 HG21 ' HB3' ' A' ' 37' ' ' CYS . 19.5 mt -35.72 -53.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.8 -3.92 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' CYS . 13.2 mtm180 48.64 62.86 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -127.49 -95.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.42 152.57 20.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG22 ' A' ' 32' ' ' ILE . 24.9 mtm -132.72 105.9 7.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 22' ' ' THR . 27.1 m -117.0 -47.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.26 176.92 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' THR . . . 34.04 68.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 144.7 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.928 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.9 mmtt -109.3 177.12 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -130.38 111.98 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.664 HD12 ' HE1' ' A' ' 33' ' ' PHE . 72.4 mt -65.45 153.44 90.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.86 3.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.3 p -106.46 0.05 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.8 t30 82.85 52.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.5 m80 -152.86 116.09 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 25' ' ' LYS . 8.3 mt -94.52 143.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' ' 27' ' ' LEU . 56.0 m-85 -148.96 142.83 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLU . 22.9 m170 -43.97 131.58 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -57.21 -19.77 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -93.01 -42.13 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.717 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.0 m -67.95 -21.31 65.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 33' ' ' PHE . 22.9 mt -77.45 -59.18 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.36 -21.16 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.421 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 2.5 t -93.4 -21.95 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -81.5 -52.44 7.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.7 -15.26 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -26.65 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 40' ' ' SER . 45.9 mtt85 -123.95 -26.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 177.4 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -144.98 27.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.816 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.26 145.47 45.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -48.39 137.51 11.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.5 t -135.93 -49.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.577 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -99.12 -3.29 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.816 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 34.45 62.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.592 ' N ' HG22 ' A' ' 47' ' ' THR . 11.2 tmm? -126.28 121.82 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.76 124.43 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.54 -38.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.823 0.344 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 159.94 32.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 111.186 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -25.96 27.98 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -77.35 -38.93 49.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.36 -41.74 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.59 7.1 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptm -150.42 33.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.6 m-20 62.39 8.12 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p-10 34.31 36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.7 t -118.15 127.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.3 t -68.96 116.64 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.07 -46.54 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.734 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.6 mt -33.85 -49.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -115.76 -3.29 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 20.7 mtm-85 49.26 62.4 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -122.2 -94.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.6 tt0 -170.75 151.25 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 30.1 mtm -130.13 100.7 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.63 -28.54 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -175.23 139.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.45 50.24 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.12 164.66 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -112.95 -178.06 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -130.15 130.21 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.36 152.73 61.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.79 3.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -106.3 -0.2 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.7 t-20 82.81 48.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 34.0 m80 -148.04 109.4 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.9 mt -94.53 140.74 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.677 ' HB3' HD12 ' A' ' 15' ' ' ILE . 56.3 m-85 -149.86 154.15 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 27.5 m170 -42.3 137.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -66.17 -17.96 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -94.0 -32.06 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.734 ' HB3' HG21 ' A' ' 15' ' ' ILE . 90.4 m -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.94 -66.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -48.19 -25.8 1.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -92.77 -26.27 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -77.39 -44.04 30.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.0 -20.23 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -9.14 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -134.33 -34.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -128.97 103.91 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 50.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.9 141.84 21.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -48.07 138.73 10.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.82 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.33 3.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.4 t -134.91 -51.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 5.0 p -99.67 -2.62 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.682 ' O ' HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER 34.27 42.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.3 ttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -87.89 155.64 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.92 29.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.06 -41.68 58.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.72 -31.43 57.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.25 -49.69 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -12.51 61.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.69 -4.93 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.3 ptm -136.46 28.67 3.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' MET . 29.3 t0 76.04 -6.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.3 p-10 39.94 33.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -119.35 127.67 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.7 t -68.86 116.47 9.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.08 -46.37 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.5 mt -33.93 -50.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.7 -3.58 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . 19.7 mtm180 49.52 62.35 2.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -122.84 -94.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -170.24 150.99 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.517 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.1 mtm -128.12 88.56 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 22' ' ' THR . 14.1 m -87.15 -31.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.516 HG22 HG23 ' A' ' 21' ' ' VAL . 10.3 t -170.22 147.94 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.13 56.3 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.32 162.12 40.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.2 mmmt -113.61 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.71 134.54 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.3 153.38 48.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 0.77 5.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.204 . . . . 0.0 112.388 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 5.0 p -106.59 0.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 t-20 82.74 52.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 36.4 m80 -152.08 114.02 4.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.756 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.9 mt -98.85 142.39 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.5 m-85 -149.67 155.24 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -44.13 132.66 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 m -61.57 -17.13 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.739 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.2 m -72.75 -28.61 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -72.63 -55.72 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -30.25 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -88.38 -22.52 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.3 -42.5 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -74.88 -17.59 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -32.39 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -115.58 -25.33 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.93 173.69 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -143.63 38.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -150.86 148.25 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.468 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -51.05 138.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.74 1.72 4.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.9 t -134.5 -51.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 2.5 p -97.29 -4.45 38.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER 34.15 63.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 16.6 ttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.521 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -93.17 164.76 20.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.711 . . . . 0.0 111.158 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.521 ' HD2' HG22 ' A' ' 2' ' ' THR . 53.9 Cg_endo -69.71 -43.47 2.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.68 -44.27 93.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -35.0 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 32' ' ' ILE . 8.7 mt -66.42 -45.47 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -4.06 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.75 11.91 33.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.7 ptm -152.83 25.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 t0 78.64 -9.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 39.41 34.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' ASP . 4.2 t -118.42 127.61 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.9 t -69.38 116.59 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.67 -46.47 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.742 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.5 mt -33.84 -48.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -117.2 -3.35 11.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 17.7 mtm180 49.34 62.41 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -122.14 -94.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -172.12 148.01 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.7 mtm -124.45 95.79 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.04 -25.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 t -177.03 152.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.24 50.39 4.84 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.33 42.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 mmtp -109.53 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -123.05 146.86 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.27 153.39 37.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 1.43 4.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.271 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.14 0.61 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 3.5 t-20 82.61 52.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.8 m80 -151.2 109.33 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.2 mt -95.43 138.02 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.2 m-85 -145.1 149.64 35.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -38.92 137.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 m -69.49 -17.78 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -94.8 -22.19 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.742 ' HB3' HG21 ' A' ' 15' ' ' ILE . 84.7 m -84.71 -32.65 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.22 -38.31 72.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 31.4 ptt180 -60.78 -50.39 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -18.82 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 37.1 t-105 -77.95 -49.13 14.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -75.82 -15.57 60.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.49 -28.12 63.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -124.21 -20.53 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -113.67 164.01 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -135.2 26.81 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.55 161.48 35.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -65.88 138.26 96.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.7 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.621 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.4 t -136.12 -50.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' N ' HG23 ' A' ' 50' ' ' THR . 1.8 p -97.44 -3.16 40.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.639 ' C ' HG22 ' A' ' 47' ' ' THR . 2.1 ttp180 34.43 47.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.429 ' HB1' ' HG ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.921 0.391 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.89 160.6 79.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.526 0.679 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.83 29.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -55.39 4.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.85 -26.07 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.684 HD21 HG21 ' A' ' 32' ' ' ILE . 10.8 mt -76.16 -55.12 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.15 7.94 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -151.49 28.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.0 t0 75.14 -5.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 36.55 34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.2 t -118.75 129.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.6 t -68.22 115.63 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.68 -46.5 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -34.04 -50.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -115.75 -1.03 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 15.9 mtm180 47.36 60.84 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.04 -94.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -173.24 147.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.632 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 25.6 mtm -128.67 96.22 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.64 -21.59 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t 174.65 -27.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.34 54.15 2.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.562 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 161.11 43.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.064 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.55 -177.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -125.16 139.07 54.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 56.3 mt -94.64 153.41 40.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.86 3.14 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.16 2.89 19.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.1 t-20 82.59 53.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 38.5 m80 -152.05 114.67 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.1 mt -94.46 136.32 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 14' ' ' ILE . 61.2 m-85 -147.33 146.65 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 26.9 m170 -39.74 141.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -70.94 -19.59 62.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -92.44 -28.93 16.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.735 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.8 m -79.88 -30.23 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.2 mt -72.43 -48.3 42.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -59.55 -33.72 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.52 -27.49 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 30.1 t-105 -70.96 -43.16 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.23 -15.27 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -28.75 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 4.9 mtm180 -115.43 -28.24 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 44' ' ' ARG . 1.7 mp0 -122.32 -173.79 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -148.06 14.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.791 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.73 151.03 35.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -58.24 138.13 84.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 110.88 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.3 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.6 t -134.36 -50.39 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 50' ' ' THR . 8.4 p -100.34 -3.49 31.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.791 ' C ' HG22 ' A' ' 47' ' ' THR . 29.7 mtt-85 34.53 61.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 47' ' ' THR . 7.4 tmm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.24 160.12 65.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -29.02 24.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.6 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -71.07 -34.66 71.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 32' ' ' ILE . 6.3 mt -67.42 -50.99 57.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -5.31 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 12.19 29.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -154.09 27.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t0 78.33 -9.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 37.68 35.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -118.62 127.46 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -70.14 117.31 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.63 -46.55 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.71 HG21 ' HB3' ' A' ' 37' ' ' CYS . 15.8 mt -34.07 -48.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.33 -3.24 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 50.9 mtm-85 48.54 62.79 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -123.83 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -171.24 151.16 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.584 ' SD ' HG22 ' A' ' 32' ' ' ILE . 23.4 mtm -126.85 93.17 3.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 22' ' ' THR . 16.1 m -90.92 -28.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 HG23 ' A' ' 21' ' ' VAL . 3.7 t -170.21 157.89 6.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 57.37 4.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.04 44.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -111.69 -179.31 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -130.97 135.48 47.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.2 153.23 46.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.39 3.61 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -106.55 0.0 24.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 6.6 t-20 82.82 45.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.1 m80 -144.54 109.4 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -97.6 140.45 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 15' ' ' ILE . 50.4 m-85 -147.57 156.46 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -45.4 138.33 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -64.58 -19.66 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -92.66 -38.98 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.7 m -67.83 -24.84 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 33' ' ' PHE . 26.0 mt -76.89 -55.39 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -54.31 -25.44 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.47 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -77.43 -43.07 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -69.01 -10.05 55.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.75 -38.67 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -126.2 -11.43 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -139.14 94.98 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' N ' ' OE1' ' A' ' 46' ' ' GLN . 1.9 pm0 -74.84 4.86 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.632 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -98.9 146.89 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -52.19 139.46 35.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 53.1 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 51' ' ' CYS . 8.9 t -134.03 -52.34 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.625 ' N ' HG23 ' A' ' 50' ' ' THR . 4.4 p -97.63 -3.77 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.632 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 33.85 44.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 36.5 ttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.51 161.53 78.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 111.078 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -36.22 10.87 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.239 . . . . 0.0 112.275 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -46.23 81.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.19 -27.94 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 32' ' ' ILE . 8.3 mt -75.15 -58.27 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.45 -6.73 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 16.48 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -159.9 31.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 76.35 -6.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 36.64 31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.9 t -120.03 129.14 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -66.75 114.82 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.4 -46.52 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -33.67 -50.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.16 -0.13 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.623 ' NH1' HD11 ' A' ' 14' ' ' ILE . 3.6 mtt-85 47.5 59.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -115.3 -94.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -174.59 147.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.642 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 25.3 mtm -127.65 101.5 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.02 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -179.66 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.56 59.68 2.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.61 159.75 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.727 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.4 mmtt -109.89 176.27 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -120.07 143.61 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.99 153.34 37.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.48 3.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.329 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.84 2.47 19.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 28.5 t30 82.75 52.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.3 m80 -152.22 113.4 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.2 mt -94.5 136.58 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.3 m-85 -146.89 153.53 40.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -44.39 140.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -69.91 -17.5 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.0 p -94.82 -29.87 14.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.748 ' HB3' HG21 ' A' ' 15' ' ' ILE . 94.7 m -78.39 -32.67 48.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.46 -56.84 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -59.32 -25.16 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 m -91.88 -22.25 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -78.82 -48.4 14.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -45.3 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -118.64 -16.46 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.0 173.5 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -148.65 39.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -146.77 143.74 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.42 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -52.77 138.17 43.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.695 0.76 . . . . 0.0 110.897 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.73 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.3 t -135.26 -50.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.613 ' N ' HG23 ' A' ' 50' ' ' THR . 4.9 p -99.94 -3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.628 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 34.67 46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.3 ttp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.42 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -101.5 165.06 14.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 54.2 Cg_endo -69.75 -24.94 29.18 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -47.16 51.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -77.92 -23.79 48.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -75.08 -49.28 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -10.54 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.3 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' CE ' ' A' ' 9' ' ' MET . 1.1 ptm -154.43 27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.6 t0 75.54 -4.94 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.8 p-10 40.61 33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.4 t -119.74 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.9 t -66.35 114.28 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.03 -46.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.763 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.1 mt -33.86 -53.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.35 -4.07 14.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.9 mtm-85 51.25 61.96 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -121.22 -94.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.2 150.96 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 32' ' ' ILE . 28.1 mtm -128.07 100.23 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.58 -22.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.24 161.39 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 54.96 8.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.5 159.26 43.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -109.46 -179.77 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -130.64 123.98 30.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -79.03 153.34 77.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.9 p -106.56 -0.35 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 2.4 t30 82.83 43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 37.7 m80 -142.46 111.04 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -96.44 142.19 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 15' ' ' ILE . 52.7 m-85 -149.89 153.69 37.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -41.92 132.35 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 m -62.05 -18.36 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -93.37 -34.19 13.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.763 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.5 m -74.61 -24.57 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 42' ' ' PHE . 15.4 mt -77.22 -48.24 18.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -64.71 -25.92 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 -20.5 19.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 45' ' ' GLN . 8.5 t-105 -86.79 -52.4 5.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.966 ' CE2' HD22 ' A' ' 38' ' ' LEU . 24.9 m-85 -66.71 -8.86 30.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -45.14 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -126.76 -10.57 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' ' CD2' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -76.01 -75.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.1 OUTLIER 82.82 20.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -156.86 128.11 6.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -34.28 136.61 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.4 Cg_endo -69.76 2.95 3.07 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 51' ' ' CYS . 14.9 t -136.03 -51.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.631 ' N ' HG23 ' A' ' 50' ' ' THR . 1.5 p -97.15 -2.7 42.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' ARG . 1.9 mpt_? 34.13 64.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.4 ttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.48 157.65 89.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.36 28.49 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.98 -44.75 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -69.06 -30.69 69.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 32' ' ' ILE . 7.6 mt -72.26 -47.43 50.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -3.32 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.3 14.64 28.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.462 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.4 ptm -156.23 27.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 9' ' ' MET . 5.6 t0 80.4 -11.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.2 p-10 43.89 30.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.4 t -120.79 129.04 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.7 t -64.74 113.65 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.92 -46.6 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.0 mt -33.88 -51.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.19 0.42 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 47.4 59.25 4.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -114.97 -94.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.661 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.28 147.66 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 17.7 mtm -126.5 105.82 9.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.2 -22.62 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 t 174.97 -27.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.45 52.25 2.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.67 155.49 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.0 mmtt -109.44 -178.94 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -119.37 142.94 47.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.85 153.42 38.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 2.82 3.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.72 2.6 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 16.0 t30 82.86 52.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.2 m80 -152.63 117.16 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.2 mt -98.61 136.41 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 15' ' ' ILE . 51.7 m-85 -147.63 163.6 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -55.74 140.75 40.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.96 -26.23 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -85.69 -34.13 21.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.723 ' HB3' HG21 ' A' ' 15' ' ' ILE . 97.7 m -73.09 -36.28 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 33.2 mt -67.65 -57.51 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -58.7 -27.38 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 m -90.48 -24.82 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' HG23 ' A' ' 15' ' ' ILE . 32.9 t-105 -78.36 -41.75 32.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.606 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 23.9 m-85 -71.0 -17.59 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -9.96 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 1.9 mtt-85 -134.54 -34.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -131.15 104.64 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.67 47.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.97 143.36 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -51.98 136.69 37.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.69 . . . . 0.0 110.881 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.87 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -132.02 -51.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 13.8 p -101.95 -3.68 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER 33.88 55.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.52 158.66 33.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.69 23.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.38 -44.85 50.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.42 -32.38 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -68.6 -54.59 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -5.21 12.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.21 10.19 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -152.82 27.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.7 t0 80.57 -13.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 41.91 35.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.2 t -120.03 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.2 t -67.31 115.16 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.67 -46.6 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.143 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.3 mt -34.16 -50.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.22 -1.56 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . 44.8 mtm-85 48.04 61.25 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -119.3 -94.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -172.27 148.07 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.692 ' SD ' HG22 ' A' ' 32' ' ' ILE . 22.5 mtm -125.25 105.47 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.19 -26.65 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t 177.24 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.17 55.96 2.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.69 158.64 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.058 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.8 mmmt -109.38 178.25 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -121.14 141.52 50.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.19 153.43 38.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.91 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.68 2.22 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.4 t30 82.62 52.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.6 m80 -151.58 113.37 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.3 mt -94.56 135.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 31' ' ' HIS . 52.9 m-85 -146.71 148.04 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -40.17 142.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -73.63 -18.53 61.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.473 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 28.7 p -94.47 -22.83 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.753 ' HB3' HG21 ' A' ' 15' ' ' ILE . 91.2 m -83.09 -33.41 26.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.65 -39.8 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 24.0 ptt180 -59.96 -50.08 75.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -77.95 -18.64 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.445 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 31.3 t-105 -77.63 -50.09 13.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -76.4 -22.27 54.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -26.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -124.59 -23.0 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -113.01 168.22 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -138.08 31.75 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.646 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.44 164.47 29.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -72.32 138.08 81.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.63 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -135.08 -51.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 50' ' ' THR . 12.3 p -101.35 -0.57 35.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.646 ' C ' HG22 ' A' ' 47' ' ' THR . 22.9 mtp180 34.33 45.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 51' ' ' CYS . 1.6 ppp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.98 159.38 32.79 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.75 27.18 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -80.27 -46.82 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 10.1 mm-40 -71.62 -30.89 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.941 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.9 mt -67.03 -54.13 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -2.31 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.96 7.83 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.714 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -147.2 24.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' MET . 7.4 t0 83.09 -19.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.941 ' OD1' HD22 ' A' ' 6' ' ' LEU . 10.8 t30 46.9 20.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.8 119.07 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.5 t -63.24 115.42 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.84 -47.01 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.166 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 21.0 mt -34.97 -53.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.84 -3.29 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 57.5 mtm-85 48.43 63.01 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -129.08 -95.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 1.0 OUTLIER -165.06 152.66 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.584 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 64.1 mtm -126.17 58.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -36.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 t -168.66 164.98 12.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.64 3.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.6 159.23 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -110.95 177.06 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 5' ' ' GLU . 39.1 ttm-85 -125.52 150.2 47.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 ' HE1' ' A' ' 33' ' ' PHE . 77.6 mt -102.79 153.36 38.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.86 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -108.06 1.64 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 29.0 t30 82.75 52.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.9 m80 -151.65 120.18 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 25' ' ' LYS . 95.8 mt -101.94 138.35 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 53.0 m-85 -147.96 142.6 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 23.2 m170 -37.04 143.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 m -73.37 -18.81 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 -20.34 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.1 m -86.58 -26.85 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.05 -39.13 56.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 40' ' ' SER . 16.7 ptm180 -58.74 -50.24 74.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.38 -17.57 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 50.7 t-105 -77.97 -55.26 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -70.51 -15.95 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -32.0 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -124.2 -18.95 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -111.64 165.36 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -138.03 15.82 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -129.02 147.31 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.48 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -51.52 137.68 31.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.6 t -133.24 -51.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.181 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 12.6 p -101.79 -3.28 28.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 39.4 mtt-85 34.17 64.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.521 ' N ' HG22 ' A' ' 47' ' ' THR . 11.1 ttp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.462 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -114.75 166.79 10.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.2 Cg_endo -69.8 -24.76 29.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.733 2.288 . . . . 0.0 112.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.87 -48.06 33.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.08 -32.29 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.96 -42.31 90.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -19.31 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.37 7.85 10.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ptm -152.51 33.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.3 m-20 62.43 8.06 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.2 p-10 34.39 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -117.98 126.29 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -69.57 116.15 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.4 -46.61 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.754 HG21 ' HB3' ' A' ' 37' ' ' CYS . 21.2 mt -33.85 -53.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.227 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.47 -3.09 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 48.23 63.15 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -124.09 -94.61 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.2 tt0 -169.66 152.26 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 32' ' ' ILE . 30.3 mtm -128.74 105.37 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.12 -19.68 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t 176.55 155.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.09 4.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.18 160.52 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.873 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.8 mmmt -109.69 -178.91 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 16.4 ttp-105 -129.72 133.55 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.0 mt -87.29 153.35 53.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.696 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 2.93 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.4 p -106.31 1.23 25.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 8.5 t-20 82.81 48.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.8 m80 -147.66 120.27 8.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.6 mt -104.16 140.87 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . 45.2 m-85 -148.68 154.52 39.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -41.66 139.63 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 35' ' ' THR . 60.1 m -67.67 -16.83 64.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.2 p -94.83 -35.85 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.754 ' HB3' HG21 ' A' ' 15' ' ' ILE . 91.6 m -69.77 -37.24 76.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 42' ' ' PHE . 29.1 mt -63.47 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -50.23 -35.3 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 m -81.37 -23.63 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -79.32 -51.53 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HE2' HD22 ' A' ' 38' ' ' LEU . 64.2 m-85 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -34.86 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -120.39 -22.61 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -108.46 175.77 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -148.8 39.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.789 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.86 146.19 24.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -52.82 135.67 46.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.74 2.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.622 2.215 . . . . 0.0 112.386 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.3 t -132.89 -46.58 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 11.9 p -108.62 -1.37 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.789 ' C ' HG22 ' A' ' 47' ' ' THR . 4.9 mpt_? 35.09 58.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.4 mtp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -81.45 159.26 67.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.199 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG22 ' A' ' 2' ' ' THR . 52.8 Cg_endo -69.88 -40.64 4.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.35 -32.11 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 26' ' ' ARG . 5.0 mm-40 -84.51 -33.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.552 HD21 HG21 ' A' ' 32' ' ' ILE . 9.7 mt -71.58 -39.5 70.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -22.16 63.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.31 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 ptm -140.52 34.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 62.49 7.98 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.9 p-10 34.25 37.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.8 t -117.35 124.86 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.7 t -67.75 116.58 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.98 -46.54 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.2 mt -34.96 -50.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.162 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.19 -2.6 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 4.8 mtm180 47.42 63.31 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -125.47 -94.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.7 tt0 -168.13 153.5 6.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 40.8 mtm -130.61 107.92 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.95 -23.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -172.24 176.02 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.48 58.17 14.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.51 161.03 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.822 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mmmt -109.39 -176.2 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 5' ' ' GLU . 46.5 ttp180 -136.01 120.67 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HE1' ' A' ' 33' ' ' PHE . 68.2 mt -75.3 153.44 86.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.14 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.296 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -107.39 5.46 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 81.86 16.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.4 m80 -112.32 109.62 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.4 mt -95.12 143.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB3' HD12 ' A' ' 15' ' ' ILE . 55.5 m-85 -149.92 162.73 39.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 24.8 m170 -52.81 139.68 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m -69.22 -17.94 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 3.8 m -94.79 -24.12 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 92.5 m -82.79 -32.54 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 18.5 mt -71.62 -38.57 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 30.5 ptt85 -61.72 -49.72 75.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 t -78.12 -18.49 55.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 55.6 t-105 -81.69 -39.71 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 17.3 m-85 -71.42 -10.67 60.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.77 -35.96 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -126.52 -10.76 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.09 90.52 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.64 9.89 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.839 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.71 141.23 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -42.28 135.92 2.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.748 2.299 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.3 t -135.96 -47.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.3 p -102.72 -1.68 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.839 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 33.66 64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.595 ' N ' HG22 ' A' ' 47' ' ' THR . 4.6 ttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -73.41 151.59 89.73 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.28 27.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -23.63 58.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -91.99 -38.78 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.07 -44.15 96.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -14.71 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 10.35 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.4 ptm -148.25 25.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.3 t0 73.07 -2.71 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 37.18 35.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.0 t -120.52 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 50.7 t -69.32 116.99 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.636 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.18 -46.4 87.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 37' ' ' CYS . 13.8 mt -33.84 -49.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 p -115.96 -3.39 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 49.17 62.71 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -123.18 -94.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.4 153.43 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG22 ' A' ' 32' ' ' ILE . 34.3 mtm -130.94 99.24 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -96.96 -22.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.07 156.07 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 42.87 7.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.58 161.75 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.87 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.4 mmmt -110.2 -177.03 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -126.4 139.12 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' HE1' ' A' ' 33' ' ' PHE . 49.1 mt -93.73 153.32 41.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.42 4.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 112.321 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.7 p -106.71 1.26 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.3 t-20 82.75 51.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 34.5 m170 -151.16 128.88 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.4 mt -109.69 137.25 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.746 ' HB3' HD12 ' A' ' 15' ' ' ILE . 34.4 m-85 -144.75 150.59 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -39.65 134.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -62.49 -16.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -37.39 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.757 ' HB3' HD13 ' A' ' 15' ' ' ILE . 94.3 m -67.66 -35.37 78.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 38' ' ' LEU . 20.7 mt -65.78 -58.49 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -56.36 -28.01 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -87.89 -26.76 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -48.58 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.37 -14.6 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -38.52 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 -26.12 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.39 175.89 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -148.5 32.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.742 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -140.6 132.87 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 1.9 t -40.28 134.53 1.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.2 t -127.03 -47.1 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.549 ' N ' ' CG2' ' A' ' 50' ' ' THR . 18.4 p -110.55 -4.5 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.742 ' C ' HG22 ' A' ' 47' ' ' THR . 10.0 mtm180 34.1 59.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 161.62 24.52 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.575 0.703 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.38 20.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.07 -48.7 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.57 -34.06 71.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.5 -50.56 66.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.96 -3.24 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.99 4.55 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 4.8 ptm -146.77 27.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.4 t0 76.84 -3.03 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.4 p-10 36.77 37.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -121.86 127.5 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 38.1 t -62.54 112.49 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.41 -46.61 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.7 mt -35.03 -53.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.79 0.74 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 46.81 59.07 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.47 -94.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -169.47 151.78 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.445 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 32.8 mtm -130.89 100.26 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.86 -24.06 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t 178.37 139.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.43 53.91 1.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.21 162.47 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.97 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 mmtt -109.39 -175.4 2.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -131.69 134.67 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.3 153.35 51.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.729 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 9.2 p -109.66 4.85 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.0 t-20 82.67 29.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 23.8 m170 -123.69 110.25 14.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.5 mt -98.92 132.65 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.724 ' HB3' HD12 ' A' ' 15' ' ' ILE . 19.0 m-85 -144.65 166.55 24.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 32.7 m170 -51.2 139.95 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 25' ' ' LYS . 3.0 m -68.34 -20.08 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -91.34 -33.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.732 ' HB3' HG21 ' A' ' 15' ' ' ILE . 72.5 m -70.02 -37.44 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 33' ' ' PHE . 39.1 mt -67.4 -52.26 41.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -58.82 -33.84 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t -87.76 -25.35 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -72.05 -47.61 50.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.97 -16.54 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -28.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -111.69 -32.58 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -108.96 -169.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.45 18.36 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.523 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -126.48 -177.8 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.78 134.27 34.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.737 ' C ' HG22 ' A' ' 50' ' ' THR . 53.6 Cg_endo -69.7 64.74 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 ' C ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.74 -66.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.529 ' H ' HG23 ' A' ' 50' ' ' THR . 27.6 p -89.63 -20.19 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.523 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 64.07 45.37 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.1 ppp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.927 0.394 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -129.8 164.67 38.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.649 0.738 . . . . 0.0 111.089 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.6 Cg_endo -69.7 -24.92 29.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 -49.6 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.22 -35.76 78.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -65.41 -50.76 64.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -11.26 58.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.35 12.55 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -153.39 25.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 9' ' ' MET . 10.0 t0 79.31 -9.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.5 p-10 43.07 32.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -120.99 129.07 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.5 t -62.99 111.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.24 -46.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' A' ' 37' ' ' CYS . 19.0 mt -34.14 -54.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' SG ' ' CD ' ' A' ' 18' ' ' GLU . 27.2 p -111.54 -1.73 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 53.3 mtm-85 50.17 59.75 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 81.5 mt-10 -115.68 -94.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.1 tt0 -172.96 148.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.518 ' SD ' HG22 ' A' ' 32' ' ' ILE . 27.9 mtm -128.38 99.92 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 m -101.61 -19.67 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t 177.1 139.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 56.59 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.27 39.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.838 ' O ' HG23 ' A' ' 32' ' ' ILE . 6.1 mmtt -109.48 173.87 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -126.17 132.86 51.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 96.8 mt -88.18 153.39 51.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.608 2.205 . . . . 0.0 112.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 7.2 p -106.09 1.12 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 7.0 t-20 82.68 45.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 36.0 m80 -142.51 119.67 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.5 mt -108.12 141.92 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.673 ' HB3' HD12 ' A' ' 15' ' ' ILE . 32.9 m-85 -149.89 163.94 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -53.01 128.99 29.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 82.2 m -56.74 -16.65 6.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.91 -36.95 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.771 ' HB3' HD13 ' A' ' 15' ' ' ILE . 83.8 m -68.15 -27.35 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 42' ' ' PHE . 22.9 mt -80.43 -38.74 29.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 35' ' ' THR . 12.1 mmm-85 -60.09 -41.28 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -39.43 17.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.516 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 11.9 t-105 -62.66 -43.7 98.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 38' ' ' LEU . 12.6 m-85 -66.76 -20.09 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -88.71 -8.72 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -126.83 -10.64 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HB2' ' CD1' ' A' ' 41' ' ' TRP . 31.7 mm-40 -125.5 -64.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER 83.2 20.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.717 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -154.24 136.71 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -34.12 134.56 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.516 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.1 Cg_endo -69.83 3.49 2.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -132.13 -53.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.616 ' N ' HG23 ' A' ' 50' ' ' THR . 11.0 p -100.81 -2.73 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.717 ' C ' HG22 ' A' ' 47' ' ' THR . 2.6 mmt-85 33.81 71.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.642 ' N ' HG22 ' A' ' 47' ' ' THR . 11.5 mtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.52 162.61 22.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.58 29.46 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -73.72 -50.04 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 -45.07 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 32' ' ' ILE . 7.1 mt -54.96 -29.76 57.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.47 30.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.65 16.75 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.575 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.7 OUTLIER -154.06 20.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER 82.88 -6.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 42.32 26.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -120.54 129.64 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.8 t -65.32 113.57 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -64.34 -46.34 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.8 mt -33.99 -53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.16 0.76 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.4 mtm-85 47.32 58.62 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -113.36 -94.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.72 148.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.674 ' SD ' HG22 ' A' ' 32' ' ' ILE . 25.5 mtm -130.33 100.92 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -23.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.7 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.04 56.24 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.68 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 mmmt -109.41 -175.73 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -125.88 137.03 53.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 33' ' ' PHE . 34.3 mt -92.22 153.46 43.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.81 3.28 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER 82.82 53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.0 m80 -153.2 123.4 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.1 mt -100.21 135.76 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.616 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.0 m-85 -146.73 154.64 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -46.75 139.57 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -67.01 -17.14 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.8 -33.38 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.746 ' HB3' HG21 ' A' ' 15' ' ' ILE . 95.4 m -74.73 -26.92 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 38' ' ' LEU . 15.1 mt -75.79 -50.92 13.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -65.71 -25.7 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.9 m -90.88 -24.16 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -78.07 -45.04 24.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.94 -16.54 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.05 -34.86 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.82 -13.73 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -130.49 -179.99 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -153.58 26.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.37 128.13 23.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' CB ' ' HG ' ' A' ' 51' ' ' CYS . 1.8 t -38.14 133.58 0.92 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 4.4 t -128.44 -47.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.133 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 16.4 p -107.77 -4.96 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' C ' HG22 ' A' ' 47' ' ' THR . 1.6 mmt180 33.62 55.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 2.5 mtp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.0 p -67.83 152.69 96.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.23 -34.19 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -79.54 -37.28 36.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD21 HG21 ' A' ' 32' ' ' ILE . 5.8 mt -64.37 -53.68 44.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -7.25 17.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.24 16.93 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.475 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -159.85 29.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 81.13 -14.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 42.4 31.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.6 t -117.72 126.92 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.1 t -65.39 114.68 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.63 -46.7 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.0 mt -34.54 -51.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.09 -2.22 13.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 48.62 61.74 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -121.75 -94.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tt0 -170.14 147.87 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 29.6 mtm -124.35 102.76 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.42 -22.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -179.53 163.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.5 52.22 10.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.04 161.42 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.2 mmtt -109.43 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -130.91 129.93 42.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.83 153.19 60.48 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.618 0.723 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 2.75 3.19 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -105.23 -0.71 26.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.534 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 7.4 t30 82.77 50.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.6 m80 -149.6 116.28 5.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.3 mt -102.03 143.86 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.1 m-85 -149.92 153.47 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 30.0 m170 -47.36 129.94 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -58.1 -29.93 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -80.27 -36.92 33.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 89.1 m -70.49 -29.59 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' CE2' ' A' ' 42' ' ' PHE . 18.3 mt -70.43 -38.89 74.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 6.3 mmm-85 -64.72 -48.98 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -77.5 -13.84 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 58.1 t-105 -87.82 -43.62 11.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CE2' HD22 ' A' ' 38' ' ' LEU . 26.1 m-85 -70.95 -6.8 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -37.47 83.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -126.58 -10.7 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.82 90.0 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -80.13 43.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.509 HG22 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -156.7 148.36 22.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -47.17 134.17 9.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 2.98 3.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.3 t -133.66 -50.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.175 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.618 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -96.93 -5.21 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' C ' HG22 ' A' ' 47' ' ' THR . 45.1 mtm-85 34.1 59.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.509 ' N ' HG22 ' A' ' 47' ' ' THR . 34.8 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.46 159.6 63.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.29 20.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.612 2.208 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 10.3 tt0 -71.23 -34.42 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 26' ' ' ARG . 45.3 mm-40 -83.04 -33.55 26.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 32' ' ' ILE . 16.3 mt -69.38 -56.63 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -2.83 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -100.94 14.15 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -157.11 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 75.1 -5.17 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 35.04 33.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.9 t -119.82 128.49 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.2 t -63.89 113.13 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.56 -46.63 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 37' ' ' CYS . 13.5 mt -33.91 -52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.77 0.71 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 47.41 59.11 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -114.57 -94.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.696 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.58 148.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.688 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 15.6 mtm -128.74 104.97 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.82 -22.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.74 -27.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.37 50.93 2.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 159.1 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.44 -176.98 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 5' ' ' GLU . 38.9 ttp180 -123.74 136.75 54.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 153.57 45.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 3.03 2.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.733 2.289 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -114.42 18.99 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.553 ' ND2' ' N ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER 67.42 48.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.7 m80 -144.67 109.6 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.846 HG21 HD21 ' A' ' 6' ' ' LEU . 4.4 mt -94.53 137.71 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 14' ' ' ILE . 45.6 m-85 -149.58 164.89 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -57.52 139.47 53.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -66.18 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -34.23 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.788 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.1 m -73.38 -35.48 65.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 33' ' ' PHE . 30.3 mt -67.32 -64.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -50.73 -31.88 17.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -86.26 -28.34 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -73.76 -40.79 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.37 -14.31 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -15.69 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -127.95 -29.42 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 102.59 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.54 60.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.78 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -162.21 155.92 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.477 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -60.79 138.4 93.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.619 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.9 t -132.63 -52.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.619 ' N ' HG23 ' A' ' 50' ' ' THR . 14.8 p -100.18 -3.58 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.78 ' C ' HG22 ' A' ' 47' ' ' THR . 4.6 mmm-85 34.43 63.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.557 ' N ' HG22 ' A' ' 47' ' ' THR . 7.4 tmm? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.15 162.22 52.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -75.96 -34.64 59.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.944 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.5 mt -66.45 -55.91 13.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -2.68 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.66 16.99 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.671 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -157.01 26.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.5 t70 83.43 -21.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.944 ' OD1' HD22 ' A' ' 6' ' ' LEU . 11.4 t30 47.54 22.81 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 120.47 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' ARG . 31.9 t -62.84 115.15 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.14 -46.8 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.4 mt -36.92 -52.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -109.6 -0.8 18.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 44.69 63.05 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -128.42 -95.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.37 152.63 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 74.8 mtm -128.81 56.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -33.38 -37.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.1 t -179.67 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.08 64.9 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.72 161.8 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.868 ' HG3' HG23 ' A' ' 35' ' ' THR . 5.7 mmtt -109.29 165.8 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -112.02 144.96 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 75.0 mt -101.45 154.0 37.51 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.6 3.57 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 32.9 t30 82.97 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 31.4 m170 -147.98 115.8 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 20' ' ' MET . 4.6 mt -94.41 135.82 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.7 m-85 -147.94 148.17 30.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.582 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.7 m170 -44.04 141.13 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.868 HG23 ' HG3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -69.71 -24.09 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.9 p -87.99 -30.25 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.3 m -75.62 -41.3 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 34.0 mt -64.16 -62.77 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -48.4 -26.51 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -94.27 -19.98 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' LEU . 42.8 t-105 -82.75 -47.21 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 28.0 m-85 -66.65 -18.76 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.42 -9.57 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.16 -34.34 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -130.52 104.37 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.23 46.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -144.17 125.7 14.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -34.79 136.39 0.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.37 2.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.624 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.2 t -131.05 -51.45 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.624 ' N ' HG23 ' A' ' 50' ' ' THR . 17.1 p -103.84 -3.06 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 47' ' ' THR . 7.0 mpt_? 34.12 39.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 53' ' ' MET . 44.1 ttp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.36 161.06 55.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -26.63 27.77 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.76 2.307 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -80.55 -46.54 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -69.98 -29.58 66.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD23 HD13 ' A' ' 32' ' ' ILE . 7.6 mt -72.46 -61.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -8.41 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -93.31 16.72 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.582 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.3 OUTLIER -158.47 30.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 8.7 t0 83.01 -19.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 39.64 34.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.46 122.7 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -64.91 115.5 5.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.11 -46.52 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.717 HG21 ' HB3' ' A' ' 37' ' ' CYS . 19.5 mt -35.72 -53.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.8 -3.92 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' CYS . 13.2 mtm180 48.64 62.86 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -127.49 -95.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.42 152.57 20.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG22 ' A' ' 32' ' ' ILE . 24.9 mtm -132.72 105.9 7.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 22' ' ' THR . 27.1 m -117.0 -47.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.26 176.92 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' THR . . . 34.04 68.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 144.7 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.928 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.9 mmtt -109.3 177.12 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -130.38 111.98 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.664 HD12 ' HE1' ' A' ' 33' ' ' PHE . 72.4 mt -65.45 153.44 90.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.86 3.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.3 p -106.46 0.05 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.8 t30 82.85 52.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.5 m80 -152.86 116.09 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 25' ' ' LYS . 8.3 mt -94.52 143.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' ' 27' ' ' LEU . 56.0 m-85 -148.96 142.83 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLU . 22.9 m170 -43.97 131.58 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -57.21 -19.77 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -93.01 -42.13 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.717 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.0 m -67.95 -21.31 65.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 33' ' ' PHE . 22.9 mt -77.45 -59.18 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.36 -21.16 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.421 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 2.5 t -93.4 -21.95 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -81.5 -52.44 7.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.7 -15.26 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -26.65 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 40' ' ' SER . 45.9 mtt85 -123.95 -26.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 177.4 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -144.98 27.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.816 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.26 145.47 45.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -48.39 137.51 11.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.5 t -135.93 -49.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.577 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -99.12 -3.29 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.816 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 34.45 62.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.592 ' N ' HG22 ' A' ' 47' ' ' THR . 11.2 tmm? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.823 0.344 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.13 159.94 32.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 111.186 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 -25.96 27.98 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -77.35 -38.93 49.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.71 -37.74 62.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.36 -41.74 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -19.44 62.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.59 7.1 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.9 ptm -150.42 33.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.6 m-20 62.39 8.12 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p-10 34.31 36.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.7 t -118.15 127.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.3 t -68.96 116.64 9.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.07 -46.54 87.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.734 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.6 mt -33.85 -49.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -115.76 -3.29 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 20.7 mtm-85 49.26 62.4 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -122.2 -94.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.6 tt0 -170.75 151.25 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 30.1 mtm -130.13 100.7 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.63 -28.54 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.7 t -175.23 139.0 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.45 50.24 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.12 164.66 33.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.922 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -112.95 -178.06 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -130.15 130.21 44.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.5 mt -84.36 152.73 61.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.79 3.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -106.3 -0.2 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.7 t-20 82.81 48.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 34.0 m80 -148.04 109.4 4.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.922 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.9 mt -94.53 140.74 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.677 ' HB3' HD12 ' A' ' 15' ' ' ILE . 56.3 m-85 -149.86 154.15 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 27.5 m170 -42.3 137.26 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -66.17 -17.96 65.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -94.0 -32.06 13.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.734 ' HB3' HG21 ' A' ' 15' ' ' ILE . 90.4 m -74.51 -31.29 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.94 -66.41 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -48.19 -25.8 1.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -92.77 -26.27 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -77.39 -44.04 30.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.0 -20.23 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.0 -9.14 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -134.33 -34.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -128.97 103.91 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.95 50.89 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.9 141.84 21.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -48.07 138.73 10.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.648 0.737 . . . . 0.0 110.82 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.33 3.65 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.4 t -134.91 -51.41 0.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 5.0 p -99.67 -2.62 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.682 ' O ' HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER 34.27 42.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.533 ' O ' HG13 ' A' ' 55' ' ' VAL . 11.3 ttp -102.49 116.08 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -34.49 126.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' MET . 4.5 m -126.11 -45.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.926 0.393 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -87.89 155.64 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.562 0.696 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.92 29.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.06 -41.68 58.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -76.72 -31.43 57.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.25 -49.69 63.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -12.51 61.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.69 -4.93 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.3 ptm -136.46 28.67 3.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' MET . 29.3 t0 76.04 -6.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.3 p-10 39.94 33.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -119.35 127.67 75.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.7 t -68.86 116.47 9.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.08 -46.37 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.739 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.5 mt -33.93 -50.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.7 -3.58 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' CYS . 19.7 mtm180 49.52 62.35 2.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -122.84 -94.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -170.24 150.99 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.517 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.1 mtm -128.12 88.56 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 22' ' ' THR . 14.1 m -87.15 -31.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.516 HG22 HG23 ' A' ' 21' ' ' VAL . 10.3 t -170.22 147.94 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.13 56.3 2.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.32 162.12 40.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.893 0.378 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.2 mmmt -113.61 178.69 4.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.71 134.54 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.3 153.38 48.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 0.77 5.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.605 2.204 . . . . 0.0 112.388 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 5.0 p -106.59 0.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 t-20 82.74 52.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 36.4 m80 -152.08 114.02 4.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.756 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.9 mt -98.85 142.39 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.5 m-85 -149.67 155.24 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -44.13 132.66 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 m -61.57 -17.13 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 p -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.739 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.2 m -72.75 -28.61 62.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -72.63 -55.72 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -30.25 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -88.38 -22.52 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.3 -42.5 20.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -74.88 -17.59 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -32.39 69.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -115.58 -25.33 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.93 173.69 6.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -143.63 38.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -150.86 148.25 28.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.05 138.51 25.24 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.74 1.72 4.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.9 t -134.5 -51.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 2.5 p -97.29 -4.45 38.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER 34.15 63.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 16.6 ttp -127.68 120.02 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.1 OUTLIER -36.59 126.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.546 HG23 HD12 ' A' ' 56' ' ' LEU . 5.5 m -123.91 -51.15 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 55' ' ' VAL . 2.7 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.521 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -93.17 164.76 20.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.711 . . . . 0.0 111.158 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' HD2' HG22 ' A' ' 2' ' ' THR . 53.9 Cg_endo -69.71 -43.47 2.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.68 -44.27 93.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.71 -35.0 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 32' ' ' ILE . 8.7 mt -66.42 -45.47 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -4.06 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.75 11.91 33.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.7 ptm -152.83 25.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' VAL . 14.3 t0 78.64 -9.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 39.41 34.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' ASP . 4.2 t -118.42 127.61 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.9 t -69.38 116.59 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.67 -46.47 85.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.742 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.5 mt -33.84 -48.58 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -117.2 -3.35 11.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' CYS . 17.7 mtm180 49.34 62.41 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -122.14 -94.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -172.12 148.01 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 32' ' ' ILE . 26.7 mtm -124.45 95.79 4.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.04 -25.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.2 t -177.03 152.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.24 50.39 4.84 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.33 42.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.5 mmtp -109.53 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -123.05 146.86 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.3 mt -100.27 153.39 37.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 1.43 4.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.271 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.14 0.61 21.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 3.5 t-20 82.61 52.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.8 m80 -151.2 109.33 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.899 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.2 mt -95.43 138.02 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.2 m-85 -145.1 149.64 35.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -38.92 137.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 m -69.49 -17.78 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -94.8 -22.19 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.742 ' HB3' HG21 ' A' ' 15' ' ' ILE . 84.7 m -84.71 -32.65 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.22 -38.31 72.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 31.4 ptt180 -60.78 -50.39 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -18.82 55.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 37.1 t-105 -77.95 -49.13 14.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -75.82 -15.57 60.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.49 -28.12 63.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -124.21 -20.53 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -113.67 164.01 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -135.2 26.81 3.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.55 161.48 35.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 138.26 96.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.8 Cg_endo -69.7 2.71 3.26 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.621 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.4 t -136.12 -50.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' N ' HG23 ' A' ' 50' ' ' THR . 1.8 p -97.44 -3.16 40.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.639 ' C ' HG22 ' A' ' 47' ' ' THR . 2.1 ttp180 34.43 47.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -108.7 121.73 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -41.13 120.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 m -113.6 -45.33 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' HB1' ' HG ' ' A' ' 6' ' ' LEU . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.921 0.391 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.89 160.6 79.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.526 0.679 . . . . 0.0 111.139 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.83 29.05 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.37 -55.39 4.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.85 -26.07 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.684 HD21 HG21 ' A' ' 32' ' ' ILE . 10.8 mt -76.16 -55.12 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.15 7.94 38.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -151.49 28.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.0 t0 75.14 -5.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.804 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 36.55 34.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.627 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.2 t -118.75 129.27 75.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.6 t -68.22 115.63 7.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.68 -46.5 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.735 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -34.04 -50.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 p -115.75 -1.03 12.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 15.9 mtm180 47.36 60.84 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.04 -94.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.627 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -173.24 147.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.632 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 25.6 mtm -128.67 96.22 4.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 m -80.64 -21.59 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t 174.65 -27.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.34 54.15 2.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.562 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 161.11 43.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 111.064 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.55 -177.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.1 ttp85 -125.16 139.07 54.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 56.3 mt -94.64 153.41 40.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 2.86 3.14 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.16 2.89 19.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.1 t-20 82.59 53.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 38.5 m80 -152.05 114.67 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.805 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.1 mt -94.46 136.32 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 14' ' ' ILE . 61.2 m-85 -147.33 146.65 29.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 26.9 m170 -39.74 141.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -70.94 -19.59 62.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -92.44 -28.93 16.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.735 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.8 m -79.88 -30.23 40.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.2 mt -72.43 -48.3 42.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -59.55 -33.72 71.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.52 -27.49 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 30.1 t-105 -70.96 -43.16 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -77.23 -15.27 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -28.75 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 4.9 mtm180 -115.43 -28.24 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 44' ' ' ARG . 1.7 mp0 -122.32 -173.79 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -148.06 14.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.791 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -115.73 151.03 35.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -58.24 138.13 84.63 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.624 0.726 . . . . 0.0 110.88 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.3 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.6 t -134.36 -50.39 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 50' ' ' THR . 8.4 p -100.34 -3.49 31.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.791 ' C ' HG22 ' A' ' 47' ' ' THR . 29.7 mtt-85 34.53 61.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.503 ' O ' HG13 ' A' ' 55' ' ' VAL . 7.4 tmm? -124.4 117.04 23.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' MET . 2.2 t70 -34.34 123.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 53' ' ' MET . 3.5 m -122.32 -39.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.24 160.12 65.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.56 0.695 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -29.02 24.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -44.6 28.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -71.07 -34.66 71.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 HG21 ' A' ' 32' ' ' ILE . 6.3 mt -67.42 -50.99 57.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -5.31 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 12.19 29.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -154.09 27.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.1 t0 78.33 -9.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 37.68 35.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -118.62 127.46 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -70.14 117.31 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.63 -46.55 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.71 HG21 ' HB3' ' A' ' 37' ' ' CYS . 15.8 mt -34.07 -48.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.33 -3.24 11.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 50.9 mtm-85 48.54 62.79 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -123.83 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -171.24 151.16 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.584 ' SD ' HG22 ' A' ' 32' ' ' ILE . 23.4 mtm -126.85 93.17 3.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 22' ' ' THR . 16.1 m -90.92 -28.65 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 HG23 ' A' ' 21' ' ' VAL . 3.7 t -170.21 157.89 6.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.31 57.37 4.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.37 159.04 44.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -111.69 -179.31 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -130.97 135.48 47.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.2 153.23 46.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.742 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.39 3.61 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -106.55 0.0 24.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 6.6 t-20 82.82 45.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.1 m80 -144.54 109.4 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -97.6 140.45 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 15' ' ' ILE . 50.4 m-85 -147.57 156.46 42.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.823 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -45.4 138.33 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -64.58 -19.66 65.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -92.66 -38.98 11.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.71 ' HB3' HG21 ' A' ' 15' ' ' ILE . 96.7 m -67.83 -24.84 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 33' ' ' PHE . 26.0 mt -76.89 -55.39 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -54.31 -25.44 23.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.47 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -77.43 -43.07 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -69.01 -10.05 55.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.75 -38.67 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -126.2 -11.43 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -139.14 94.98 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' N ' ' OE1' ' A' ' 46' ' ' GLN . 1.9 pm0 -74.84 4.86 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.632 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -98.9 146.89 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -52.19 139.46 35.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 53.1 Cg_endo -69.83 1.22 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 HG23 ' N ' ' A' ' 51' ' ' CYS . 8.9 t -134.03 -52.34 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.181 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' N ' HG23 ' A' ' 50' ' ' THR . 4.4 p -97.63 -3.77 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.632 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 33.85 44.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . 36.5 ttp -102.56 114.69 29.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.2 OUTLIER -35.71 127.58 0.66 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.5 m -116.86 -40.44 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.769 0.319 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.51 161.53 78.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 111.078 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -36.22 10.87 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.658 2.239 . . . . 0.0 112.275 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -46.23 81.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.19 -27.94 63.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 32' ' ' ILE . 8.3 mt -75.15 -58.27 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.45 -6.73 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 16.48 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.442 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -159.9 31.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 76.35 -6.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 36.64 31.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.9 t -120.03 129.14 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -66.75 114.82 5.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.4 -46.52 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.6 mt -33.67 -50.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.6 p -117.16 -0.13 12.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.623 ' NH1' HD11 ' A' ' 14' ' ' ILE . 3.6 mtt-85 47.5 59.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -115.3 -94.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -174.59 147.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.642 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 25.3 mtm -127.65 101.5 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.02 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -179.66 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.56 59.68 2.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.61 159.75 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.727 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.4 mmtt -109.89 176.27 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -120.07 143.61 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -98.99 153.34 37.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.48 3.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.329 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.84 2.47 19.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 28.5 t30 82.75 52.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.3 m80 -152.22 113.4 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.727 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.2 mt -94.5 136.58 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.601 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.3 m-85 -146.89 153.53 40.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -44.39 140.55 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -69.91 -17.5 63.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.0 p -94.82 -29.87 14.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.748 ' HB3' HG21 ' A' ' 15' ' ' ILE . 94.7 m -78.39 -32.67 48.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.46 -56.84 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -59.32 -25.16 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.0 m -91.88 -22.25 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -78.82 -48.4 14.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -71.39 -15.57 62.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.95 -45.3 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -118.64 -16.46 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -109.0 173.5 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -148.65 39.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.628 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -146.77 143.74 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.405 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -52.77 138.17 43.34 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.695 0.76 . . . . 0.0 110.897 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.73 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.613 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.3 t -135.26 -50.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.613 ' N ' HG23 ' A' ' 50' ' ' THR . 4.9 p -99.94 -3.1 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.628 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 34.67 46.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.471 ' O ' HG13 ' A' ' 55' ' ' VAL . 14.3 ttp -109.31 115.95 30.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.5 OUTLIER -34.39 125.72 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 53' ' ' MET . 6.1 m -120.7 -42.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.899 0.381 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.42 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -101.5 165.06 14.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 54.2 Cg_endo -69.75 -24.94 29.18 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -47.16 51.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -77.92 -23.79 48.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -75.08 -49.28 20.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -10.54 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.02 12.3 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' CE ' ' A' ' 9' ' ' MET . 1.1 ptm -154.43 27.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.6 t0 75.54 -4.94 2.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.8 p-10 40.61 33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.4 t -119.74 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.9 t -66.35 114.28 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.718 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.03 -46.25 92.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.763 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.1 mt -33.86 -53.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -112.35 -4.07 14.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.9 mtm-85 51.25 61.96 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -121.22 -94.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.2 150.96 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.511 ' SD ' HG22 ' A' ' 32' ' ' ILE . 28.1 mtm -128.07 100.23 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m -101.58 -22.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 t -176.24 161.39 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 54.96 8.09 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.5 159.26 43.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.94 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.9 OUTLIER -109.46 -179.77 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -130.64 123.98 30.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -79.03 153.34 77.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 2.87 3.12 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.9 p -106.56 -0.35 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 2.4 t30 82.83 43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 37.7 m80 -142.46 111.04 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.4 mt -96.44 142.19 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 15' ' ' ILE . 52.7 m-85 -149.89 153.69 37.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -41.92 132.35 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 m -62.05 -18.36 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t -93.37 -34.19 13.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.763 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.5 m -74.61 -24.57 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.796 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 42' ' ' PHE . 15.4 mt -77.22 -48.24 18.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -64.71 -25.92 68.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 -20.5 19.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CD2' ' HG2' ' A' ' 45' ' ' GLN . 8.5 t-105 -86.79 -52.4 5.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.966 ' CE2' HD22 ' A' ' 38' ' ' LEU . 24.9 m-85 -66.71 -8.86 30.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -45.14 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -126.76 -10.57 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' ' CD2' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -76.01 -75.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.1 OUTLIER 82.82 20.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -156.86 128.11 6.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -34.28 136.61 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.926 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.4 Cg_endo -69.76 2.95 3.07 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.631 HG23 ' N ' ' A' ' 51' ' ' CYS . 14.9 t -136.03 -51.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.631 ' N ' HG23 ' A' ' 50' ' ' THR . 1.5 p -97.15 -2.7 42.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 52' ' ' ARG . 1.9 mpt_? 34.13 64.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.61 ' O ' HG13 ' A' ' 55' ' ' VAL . 17.4 ttp -120.66 121.62 38.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 20.8 t0 -41.67 119.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 53' ' ' MET . 11.3 m -133.93 -45.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.085 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.48 157.65 89.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.36 28.49 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.98 -44.75 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -69.06 -30.69 69.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 32' ' ' ILE . 7.6 mt -72.26 -47.43 50.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -3.32 23.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.3 14.64 28.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.462 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 1.4 ptm -156.23 27.62 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 9' ' ' MET . 5.6 t0 80.4 -11.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.2 p-10 43.89 30.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.4 t -120.79 129.04 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.7 t -64.74 113.65 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.703 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.92 -46.6 91.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.0 mt -33.88 -51.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.19 0.42 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER 47.4 59.25 4.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -114.97 -94.58 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.661 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.28 147.66 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 17.7 mtm -126.5 105.82 9.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.2 -22.62 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 t 174.97 -27.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.45 52.25 2.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.67 155.49 37.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.762 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.0 mmtt -109.44 -178.94 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -119.37 142.94 47.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.85 153.42 38.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 2.82 3.24 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.72 2.6 20.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 16.0 t30 82.86 52.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.2 m80 -152.63 117.16 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.2 mt -98.61 136.41 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HB3' HD12 ' A' ' 15' ' ' ILE . 51.7 m-85 -147.63 163.6 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -55.74 140.75 40.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.49 HG23 ' CG ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.96 -26.23 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -85.69 -34.13 21.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.723 ' HB3' HG21 ' A' ' 15' ' ' ILE . 97.7 m -73.09 -36.28 66.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 33.2 mt -67.65 -57.51 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -58.7 -27.38 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 m -90.48 -24.82 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.434 ' CE3' HG23 ' A' ' 15' ' ' ILE . 32.9 t-105 -78.36 -41.75 32.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.606 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 23.9 m-85 -71.0 -17.59 62.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -9.96 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 1.9 mtt-85 -134.54 -34.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -131.15 104.64 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.67 47.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.97 143.36 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -51.98 136.69 37.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.55 0.69 . . . . 0.0 110.881 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.87 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -132.02 -51.77 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.629 ' N ' HG23 ' A' ' 50' ' ' THR . 13.8 p -101.95 -3.68 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HA ' ' N ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER 33.88 55.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 32.4 ttp -117.54 18.75 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 55' ' ' VAL . 6.3 t0 57.93 162.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 3.2 m -156.95 -47.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.52 158.66 33.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.69 23.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.619 2.213 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -74.38 -44.85 50.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.42 -32.38 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -68.6 -54.59 15.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -5.21 12.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.21 10.19 36.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -152.82 27.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.7 t0 80.57 -13.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.3 p-10 41.91 35.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.2 t -120.03 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 17' ' ' ARG . 43.2 t -67.31 115.16 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.67 -46.6 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.143 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.3 mt -34.16 -50.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.3 p -115.22 -1.56 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' CYS . 44.8 mtm-85 48.04 61.25 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -119.3 -94.74 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.536 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -172.27 148.07 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.692 ' SD ' HG22 ' A' ' 32' ' ' ILE . 22.5 mtm -125.25 105.47 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.19 -26.65 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.3 t 177.24 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.17 55.96 2.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.384 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.658 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.69 158.64 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 111.058 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.852 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.8 mmmt -109.38 178.25 4.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -121.14 141.52 50.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.19 153.43 38.46 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.91 3.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -109.68 2.22 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 5.4 t30 82.62 52.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.6 m80 -151.58 113.37 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' LYS . 42.3 mt -94.56 135.54 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 31' ' ' HIS . 52.9 m-85 -146.71 148.04 31.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -40.17 142.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -73.63 -18.53 61.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.473 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 28.7 p -94.47 -22.83 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.753 ' HB3' HG21 ' A' ' 15' ' ' ILE . 91.2 m -83.09 -33.41 26.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.65 -39.8 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 24.0 ptt180 -59.96 -50.08 75.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -77.95 -18.64 55.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.445 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 31.3 t-105 -77.63 -50.09 13.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -76.4 -22.27 54.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -26.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -124.59 -23.0 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -113.01 168.22 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 1.9 tt0 -138.08 31.75 2.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.646 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.44 164.47 29.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -72.32 138.08 81.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.5 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.63 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.7 t -135.08 -51.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.63 ' N ' HG23 ' A' ' 50' ' ' THR . 12.3 p -101.35 -0.57 35.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.646 ' C ' HG22 ' A' ' 47' ' ' THR . 22.9 mtp180 34.33 45.7 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.495 ' CG ' ' SG ' ' A' ' 51' ' ' CYS . 1.6 ppp? -105.07 123.28 47.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.489 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 5.7 t0 -45.22 118.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.22 -42.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.98 159.38 32.79 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.524 0.678 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.75 27.18 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -80.27 -46.82 15.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 10.1 mm-40 -71.62 -30.89 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.941 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.9 mt -67.03 -54.13 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -2.31 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.96 7.83 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.714 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -147.2 24.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' MET . 7.4 t0 83.09 -19.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.941 ' OD1' HD22 ' A' ' 6' ' ' LEU . 10.8 t30 46.9 20.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.8 119.07 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.5 t -63.24 115.42 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.84 -47.01 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.166 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 21.0 mt -34.97 -53.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.5 p -109.84 -3.29 16.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 57.5 mtm-85 48.43 63.01 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -129.08 -95.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 1.0 OUTLIER -165.06 152.66 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.584 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 64.1 mtm -126.17 58.77 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -36.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 t -168.66 164.98 12.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.86 61.64 3.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.6 159.23 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.874 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.1 OUTLIER -110.95 177.06 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NH2' ' HB3' ' A' ' 5' ' ' GLU . 39.1 ttm-85 -125.52 150.2 47.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD12 ' HE1' ' A' ' 33' ' ' PHE . 77.6 mt -102.79 153.36 38.28 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 110.946 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.86 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.8 p -108.06 1.64 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 29.0 t30 82.75 52.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.9 m80 -151.65 120.18 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.874 HG23 ' O ' ' A' ' 25' ' ' LYS . 95.8 mt -101.94 138.35 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 31' ' ' HIS . 53.0 m-85 -147.96 142.6 26.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.584 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 23.2 m170 -37.04 143.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 m -73.37 -18.81 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 -20.34 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.1 m -86.58 -26.85 24.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.05 -39.13 56.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 40' ' ' SER . 16.7 ptm180 -58.74 -50.24 74.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.38 -17.57 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 50.7 t-105 -77.97 -55.26 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -70.51 -15.95 62.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -32.0 49.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -124.2 -18.95 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -111.64 165.36 12.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -138.03 15.82 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.804 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -129.02 147.31 50.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.48 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -51.52 137.68 31.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 53.6 Cg_endo -69.78 2.96 3.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.661 2.24 . . . . 0.0 112.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.628 HG23 ' N ' ' A' ' 51' ' ' CYS . 13.6 t -133.24 -51.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.181 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.628 ' N ' HG23 ' A' ' 50' ' ' THR . 12.6 p -101.79 -3.28 28.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.804 ' C ' HG22 ' A' ' 47' ' ' THR . 39.4 mtt-85 34.17 64.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.521 ' N ' HG22 ' A' ' 47' ' ' THR . 11.1 ttp -126.66 115.67 19.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' MET . 1.2 t70 -35.28 122.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 53' ' ' MET . 10.5 m -119.08 -34.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.747 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.462 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -114.75 166.79 10.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.2 Cg_endo -69.8 -24.76 29.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.733 2.288 . . . . 0.0 112.307 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.87 -48.06 33.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.08 -32.29 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' ASN . 15.5 mt -65.96 -42.31 90.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -19.31 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.37 7.85 10.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 ptm -152.51 33.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 12' ' ' VAL . 50.3 m-20 62.43 8.06 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.2 p-10 34.39 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 10' ' ' ASP . 3.3 t -117.98 126.29 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 44.0 t -69.57 116.15 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.716 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.4 -46.61 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.754 HG21 ' HB3' ' A' ' 37' ' ' CYS . 21.2 mt -33.85 -53.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.227 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.47 -3.09 15.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 48.23 63.15 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -124.09 -94.61 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.2 tt0 -169.66 152.26 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 32' ' ' ILE . 30.3 mtm -128.74 105.37 8.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.12 -19.68 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t 176.55 155.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.09 4.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.18 160.52 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.873 ' O ' HG23 ' A' ' 32' ' ' ILE . 1.8 mmmt -109.69 -178.91 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 16.4 ttp-105 -129.72 133.55 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.0 mt -87.29 153.35 53.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.696 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 2.93 3.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.4 p -106.31 1.23 25.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 8.5 t-20 82.81 48.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 38.8 m80 -147.66 120.27 8.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.873 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.6 mt -104.16 140.87 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . 45.2 m-85 -148.68 154.52 39.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -41.66 139.63 1.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.403 ' O ' HG22 ' A' ' 35' ' ' THR . 60.1 m -67.67 -16.83 64.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.2 p -94.83 -35.85 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.754 ' HB3' HG21 ' A' ' 15' ' ' ILE . 91.6 m -69.77 -37.24 76.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD22 ' HE2' ' A' ' 42' ' ' PHE . 29.1 mt -63.47 -65.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -50.23 -35.3 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 m -81.37 -23.63 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -79.32 -51.53 9.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HE2' HD22 ' A' ' 38' ' ' LEU . 64.2 m-85 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -34.86 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -120.39 -22.61 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -108.46 175.77 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.498 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 4.9 tt0 -148.8 39.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.789 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -152.86 146.19 24.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -52.82 135.67 46.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 3.74 2.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.622 2.215 . . . . 0.0 112.386 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.3 t -132.89 -46.58 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 11.9 p -108.62 -1.37 19.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.789 ' C ' HG22 ' A' ' 47' ' ' THR . 4.9 mpt_? 35.09 58.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.869 ' O ' HG13 ' A' ' 55' ' ' VAL . 11.4 mtp -110.27 112.16 23.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' OD2' ' NE2' ' A' ' 46' ' ' GLN . 1.3 t70 -34.29 118.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.869 HG13 ' O ' ' A' ' 53' ' ' MET . 19.7 m -136.33 -39.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD12 ' NE2' ' A' ' 46' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -81.45 159.26 67.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.199 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' HG22 ' A' ' 2' ' ' THR . 52.8 Cg_endo -69.88 -40.64 4.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.35 -32.11 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' OE2' ' NH1' ' A' ' 26' ' ' ARG . 5.0 mm-40 -84.51 -33.21 23.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.552 HD21 HG21 ' A' ' 32' ' ' ILE . 9.7 mt -71.58 -39.5 70.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -22.16 63.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.31 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 ptm -140.52 34.7 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 62.49 7.98 2.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.9 p-10 34.25 37.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.8 t -117.35 124.86 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.7 t -67.75 116.58 8.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.98 -46.54 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.2 mt -34.96 -50.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.162 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.19 -2.6 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 4.8 mtm180 47.42 63.31 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -125.47 -94.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.7 tt0 -168.13 153.5 6.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 40.8 mtm -130.61 107.92 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.95 -23.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -172.24 176.02 3.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.48 58.17 14.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.51 161.03 41.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.822 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.7 mmmt -109.39 -176.2 2.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' NH1' ' OE2' ' A' ' 5' ' ' GLU . 46.5 ttp180 -136.01 120.67 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HE1' ' A' ' 33' ' ' PHE . 68.2 mt -75.3 153.44 86.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.609 0.718 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.14 2.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.296 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -107.39 5.46 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER 81.86 16.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 33' ' ' PHE . 37.4 m80 -112.32 109.62 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.822 HG23 ' O ' ' A' ' 25' ' ' LYS . 3.4 mt -95.12 143.16 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB3' HD12 ' A' ' 15' ' ' ILE . 55.5 m-85 -149.92 162.73 39.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.579 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 24.8 m170 -52.81 139.68 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m -69.22 -17.94 63.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . 3.8 m -94.79 -24.12 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 92.5 m -82.79 -32.54 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 18.5 mt -71.62 -38.57 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 36' ' ' SER . 30.5 ptt85 -61.72 -49.72 75.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 t -78.12 -18.49 55.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 55.6 t-105 -81.69 -39.71 23.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 17.3 m-85 -71.42 -10.67 60.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.77 -35.96 79.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -126.52 -10.76 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.09 90.52 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.64 9.89 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.839 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.71 141.23 48.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -42.28 135.92 2.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.719 . . . . 0.0 110.878 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.748 2.299 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.551 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.3 t -135.96 -47.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 31' ' ' HIS . 1.3 p -102.72 -1.68 29.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.839 ' C ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER 33.66 64.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.65 ' O ' HG13 ' A' ' 55' ' ' VAL . 4.6 ttp -120.63 116.9 26.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' MET . 28.9 t0 -36.66 120.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 53' ' ' MET . 8.0 m -128.23 -49.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -73.41 151.59 89.73 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.647 0.737 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -26.28 27.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -23.63 58.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -91.99 -38.78 12.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.07 -44.15 96.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -14.71 62.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 10.35 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.4 ptm -148.25 25.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.3 t0 73.07 -2.71 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.1 p-10 37.18 35.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 19' ' ' GLU . 3.0 t -120.52 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 17' ' ' ARG . 50.7 t -69.32 116.99 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.636 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -66.18 -46.4 87.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 37' ' ' CYS . 13.8 mt -33.84 -49.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.3 p -115.96 -3.39 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.4 OUTLIER 49.17 62.71 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -123.18 -94.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -170.4 153.43 4.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.527 ' SD ' HG22 ' A' ' 32' ' ' ILE . 34.3 mtm -130.94 99.24 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -96.96 -22.9 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.07 156.07 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.86 42.87 7.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.58 161.75 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.87 ' O ' HG23 ' A' ' 32' ' ' ILE . 3.4 mmmt -110.2 -177.03 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -126.4 139.12 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' HE1' ' A' ' 33' ' ' PHE . 49.1 mt -93.73 153.32 41.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.708 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.42 4.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.746 2.297 . . . . 0.0 112.321 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.7 p -106.71 1.26 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 5.3 t-20 82.75 51.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 34.5 m170 -151.16 128.88 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' LYS . 6.4 mt -109.69 137.25 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.746 ' HB3' HD12 ' A' ' 15' ' ' ILE . 34.4 m-85 -144.75 150.59 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -39.65 134.53 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.3 m -62.49 -16.54 56.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -37.39 11.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.757 ' HB3' HD13 ' A' ' 15' ' ' ILE . 94.3 m -67.66 -35.37 78.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 38' ' ' LEU . 20.7 mt -65.78 -58.49 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -56.36 -28.01 57.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -87.89 -26.76 22.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -48.58 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -70.37 -14.6 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -38.52 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 -26.12 6.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.39 175.89 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -148.5 32.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.742 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -140.6 132.87 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.481 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 1.9 t -40.28 134.53 1.49 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 51' ' ' CYS . 1.2 t -127.03 -47.1 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' N ' ' CG2' ' A' ' 50' ' ' THR . 18.4 p -110.55 -4.5 15.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.742 ' C ' HG22 ' A' ' 47' ' ' THR . 10.0 mtm180 34.1 59.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 57.0 ttp -115.08 6.11 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' OD2' ' N ' ' A' ' 55' ' ' VAL . 28.7 t0 70.56 148.49 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 27' ' ' LEU . 9.7 m -143.54 -42.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.901 0.381 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 161.62 24.52 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.575 0.703 . . . . 0.0 111.179 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.38 20.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -73.07 -48.7 33.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.57 -34.06 71.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.3 mt -64.5 -50.56 66.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.96 -3.24 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.99 4.55 51.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 4.8 ptm -146.77 27.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.4 t0 76.84 -3.03 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.4 p-10 36.77 37.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.601 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -121.86 127.5 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' ARG . 38.1 t -62.54 112.49 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.41 -46.61 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 HG21 ' HB3' ' A' ' 37' ' ' CYS . 17.7 mt -35.03 -53.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.79 0.74 16.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 46.81 59.07 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -116.47 -94.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.601 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -169.47 151.78 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.445 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 32.8 mtm -130.89 100.26 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.86 -24.06 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 t 178.37 139.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.43 53.91 1.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -146.21 162.47 37.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.97 ' O ' HG23 ' A' ' 32' ' ' ILE . 5.5 mmtt -109.39 -175.4 2.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -131.69 134.67 46.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -88.3 153.35 51.05 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.729 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 9.2 p -109.66 4.85 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 11.0 t-20 82.67 29.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 23.8 m170 -123.69 110.25 14.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.97 HG23 ' O ' ' A' ' 25' ' ' LYS . 7.5 mt -98.92 132.65 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.724 ' HB3' HD12 ' A' ' 15' ' ' ILE . 19.0 m-85 -144.65 166.55 24.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 32.7 m170 -51.2 139.95 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 25' ' ' LYS . 3.0 m -68.34 -20.08 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -91.34 -33.64 15.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.732 ' HB3' HG21 ' A' ' 15' ' ' ILE . 72.5 m -70.02 -37.44 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 33' ' ' PHE . 39.1 mt -67.4 -52.26 41.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.9 mtp85 -58.82 -33.84 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t -87.76 -25.35 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -72.05 -47.61 50.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 55' ' ' VAL . 63.4 m-85 -69.97 -16.54 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -28.82 64.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -111.69 -32.58 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -108.96 -169.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -150.45 18.36 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.523 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -126.48 -177.8 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.4 t -88.78 134.27 34.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.737 ' C ' HG22 ' A' ' 50' ' ' THR . 53.6 Cg_endo -69.7 64.74 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.281 . . . . 0.0 112.356 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 ' C ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 165.74 -66.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.136 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.529 ' H ' HG23 ' A' ' 50' ' ' THR . 27.6 p -89.63 -20.19 23.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 64.07 45.37 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.518 ' SD ' HG13 ' A' ' 55' ' ' VAL . 3.1 ppp? -103.81 127.55 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.45 127.62 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 7.9 m -135.9 -42.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.178 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.927 0.394 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -129.8 164.67 38.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.649 0.738 . . . . 0.0 111.089 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 2' ' ' THR . 53.6 Cg_endo -69.7 -24.92 29.4 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 -49.6 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.22 -35.76 78.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 32' ' ' ILE . 17.6 mt -65.41 -50.76 64.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -11.26 58.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.35 12.55 18.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 2.1 ptm -153.39 25.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 9' ' ' MET . 10.0 t0 79.31 -9.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.5 p-10 43.07 32.33 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.8 t -120.99 129.07 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.5 t -62.99 111.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.24 -46.59 92.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' A' ' 37' ' ' CYS . 19.0 mt -34.14 -54.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' SG ' ' CD ' ' A' ' 18' ' ' GLU . 27.2 p -111.54 -1.73 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' CYS . 53.3 mtm-85 50.17 59.75 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' CD ' ' SG ' ' A' ' 16' ' ' CYS . 81.5 mt-10 -115.68 -94.68 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.1 tt0 -172.96 148.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.518 ' SD ' HG22 ' A' ' 32' ' ' ILE . 27.9 mtm -128.38 99.92 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 m -101.61 -19.67 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.5 t 177.1 139.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 56.59 1.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.27 39.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 111.062 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.838 ' O ' HG23 ' A' ' 32' ' ' ILE . 6.1 mmtt -109.48 173.87 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -126.17 132.86 51.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 96.8 mt -88.18 153.39 51.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.608 2.205 . . . . 0.0 112.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 7.2 p -106.09 1.12 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 7.0 t-20 82.68 45.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 36.0 m80 -142.51 119.67 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.5 mt -108.12 141.92 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.673 ' HB3' HD12 ' A' ' 15' ' ' ILE . 32.9 m-85 -149.89 163.94 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -53.01 128.99 29.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 82.2 m -56.74 -16.65 6.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.91 -36.95 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.771 ' HB3' HD13 ' A' ' 15' ' ' ILE . 83.8 m -68.15 -27.35 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.621 HD22 ' CE2' ' A' ' 42' ' ' PHE . 22.9 mt -80.43 -38.74 29.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 35' ' ' THR . 12.1 mmm-85 -60.09 -41.28 92.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.53 -39.43 17.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.516 ' CZ2' ' HA ' ' A' ' 49' ' ' PRO . 11.9 t-105 -62.66 -43.7 98.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CE2' HD22 ' A' ' 38' ' ' LEU . 12.6 m-85 -66.76 -20.09 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -88.71 -8.72 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -126.83 -10.64 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HB2' ' CD1' ' A' ' 41' ' ' TRP . 31.7 mm-40 -125.5 -64.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER 83.2 20.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.717 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -154.24 136.71 15.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -34.12 134.56 0.37 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.516 ' HA ' ' CZ2' ' A' ' 41' ' ' TRP . 54.1 Cg_endo -69.83 3.49 2.77 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -132.13 -53.01 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.026 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.616 ' N ' HG23 ' A' ' 50' ' ' THR . 11.0 p -100.81 -2.73 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.717 ' C ' HG22 ' A' ' 47' ' ' THR . 2.6 mmt-85 33.81 71.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.68 ' O ' HG13 ' A' ' 55' ' ' VAL . 11.5 mtm -126.79 113.15 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' MET . 53.5 t0 -35.35 119.23 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 53' ' ' MET . 27.8 m -118.18 -39.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD23 HG23 ' A' ' 55' ' ' VAL . 7.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.916 0.389 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.52 162.61 22.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.58 29.46 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -73.72 -50.04 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 -45.07 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 32' ' ' ILE . 7.1 mt -54.96 -29.76 57.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.47 30.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.65 16.75 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.575 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.7 OUTLIER -154.06 20.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER 82.88 -6.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 42.32 26.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 19' ' ' GLU . 4.0 t -120.54 129.64 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.8 t -65.32 113.57 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -64.34 -46.34 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.746 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.8 mt -33.99 -53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -114.16 0.76 14.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' CYS . 45.4 mtm-85 47.32 58.62 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -113.36 -94.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.72 148.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.674 ' SD ' HG22 ' A' ' 32' ' ' ILE . 25.5 mtm -130.33 100.92 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.61 -23.8 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.7 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.04 56.24 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.533 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.68 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.88 ' O ' HG23 ' A' ' 32' ' ' ILE . 2.6 mmmt -109.41 -175.73 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -125.88 137.03 53.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 33' ' ' PHE . 34.3 mt -92.22 153.46 43.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.564 0.697 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.82 3.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -108.81 3.28 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 0.2 OUTLIER 82.82 53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 38.0 m80 -153.2 123.4 7.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 25' ' ' LYS . 5.1 mt -100.21 135.76 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.616 ' HB3' HD12 ' A' ' 15' ' ' ILE . 58.0 m-85 -146.73 154.64 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -46.75 139.57 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -67.01 -17.14 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.8 -33.38 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.746 ' HB3' HG21 ' A' ' 15' ' ' ILE . 95.4 m -74.73 -26.92 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 38' ' ' LEU . 15.1 mt -75.79 -50.92 13.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -65.71 -25.7 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.9 m -90.88 -24.16 20.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -78.07 -45.04 24.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CG ' HD13 ' A' ' 56' ' ' LEU . 22.9 m-85 -67.94 -16.54 64.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -64.05 -34.86 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.82 -13.73 11.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -130.49 -179.99 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 3.0 tt0 -153.58 26.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -139.37 128.13 23.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.14 133.58 0.92 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 4.4 t -128.44 -47.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.133 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 16.4 p -107.77 -4.96 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' C ' HG22 ' A' ' 47' ' ' THR . 1.6 mmt180 33.62 55.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.446 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 2.5 mtp -108.74 -0.45 20.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 46' ' ' GLN . 28.0 t0 68.13 139.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.27 -43.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' A' ' 42' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.0 p -67.83 152.69 96.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.642 0.734 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.23 -34.19 49.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -79.54 -37.28 36.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD21 HG21 ' A' ' 32' ' ' ILE . 5.8 mt -64.37 -53.68 44.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -7.25 17.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.24 16.93 13.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.475 ' O ' ' CE ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -159.85 29.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 9' ' ' MET . 0.7 OUTLIER 81.13 -14.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 1.7 p-10 42.4 31.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 19' ' ' GLU . 2.6 t -117.72 126.92 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 40.1 t -65.39 114.68 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.63 -46.7 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 37' ' ' CYS . 18.0 mt -34.54 -51.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -114.09 -2.22 13.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 48.62 61.74 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -121.75 -94.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tt0 -170.14 147.87 3.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.514 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 29.6 mtm -124.35 102.76 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.42 -22.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 t -179.53 163.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.5 52.22 10.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -147.04 161.42 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.877 ' O ' HG23 ' A' ' 32' ' ' ILE . 11.2 mmtt -109.43 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -130.91 129.93 42.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 55' ' ' VAL . 96.1 mt -84.83 153.19 60.48 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.618 0.723 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 2.75 3.19 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -105.23 -0.71 26.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.534 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 7.4 t30 82.77 50.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 34.6 m80 -149.6 116.28 5.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' LYS . 4.3 mt -102.03 143.86 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.1 m-85 -149.92 153.47 36.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 30.0 m170 -47.36 129.94 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 m -58.1 -29.93 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 p -80.27 -36.92 33.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.741 ' HB3' HG21 ' A' ' 15' ' ' ILE . 89.1 m -70.49 -29.59 66.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' CE2' ' A' ' 42' ' ' PHE . 18.3 mt -70.43 -38.89 74.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 6.3 mmm-85 -64.72 -48.98 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -77.5 -13.84 59.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.448 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 58.1 t-105 -87.82 -43.62 11.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CE2' HD22 ' A' ' 38' ' ' LEU . 26.1 m-85 -70.95 -6.8 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -37.47 83.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -126.58 -10.7 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -124.82 90.0 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -80.13 43.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.509 HG22 ' N ' ' A' ' 53' ' ' MET . 0.0 OUTLIER -156.7 148.36 22.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.417 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -47.17 134.17 9.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 2.98 3.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 51' ' ' CYS . 12.3 t -133.66 -50.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.175 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.618 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -96.93 -5.21 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' C ' HG22 ' A' ' 47' ' ' THR . 45.1 mtm-85 34.1 59.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.509 ' N ' HG22 ' A' ' 47' ' ' THR . 34.8 ttp -131.96 120.6 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' MET . 9.1 t70 -34.71 126.53 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' LEU . 11.2 m -117.29 -45.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.552 ' H ' HD22 ' A' ' 56' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.46 159.6 63.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.618 0.723 . . . . 0.0 111.138 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.29 20.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.612 2.208 . . . . 0.0 112.395 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 10.3 tt0 -71.23 -34.42 70.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HG3' ' NH1' ' A' ' 26' ' ' ARG . 45.3 mm-40 -83.04 -33.55 26.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.846 HD21 HG21 ' A' ' 32' ' ' ILE . 16.3 mt -69.38 -56.63 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -2.83 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -100.94 14.15 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ptm -157.11 33.02 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER 75.1 -5.17 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 2.0 p-10 35.04 33.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG22 ' HG3' ' A' ' 19' ' ' GLU . 3.9 t -119.82 128.49 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 17' ' ' ARG . 41.2 t -63.89 113.13 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.7 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.56 -46.63 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.725 HG21 ' HB3' ' A' ' 37' ' ' CYS . 13.5 mt -33.91 -52.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.77 0.71 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 47.41 59.11 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -114.57 -94.88 0.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.696 ' HG3' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -173.58 148.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.688 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 15.6 mtm -128.74 104.97 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.82 -22.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t 174.74 -27.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.37 50.93 2.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 20' ' ' MET . . . -152.57 159.1 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -109.44 -176.98 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 5' ' ' GLU . 38.9 ttp180 -123.74 136.75 54.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.92 153.57 45.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 3.03 2.97 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.733 2.289 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -114.42 18.99 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.553 ' ND2' ' N ' ' A' ' 30' ' ' ASN . 0.3 OUTLIER 67.42 48.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.589 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 36.7 m80 -144.67 109.6 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.846 HG21 HD21 ' A' ' 6' ' ' LEU . 4.4 mt -94.53 137.71 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 14' ' ' ILE . 45.6 m-85 -149.58 164.89 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -57.52 139.47 53.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -66.18 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -34.23 15.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.788 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.725 ' HB3' HG21 ' A' ' 15' ' ' ILE . 98.1 m -73.38 -35.48 65.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 33' ' ' PHE . 30.3 mt -67.32 -64.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -50.73 -31.88 17.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -86.26 -28.34 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -73.76 -40.79 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -72.37 -14.31 61.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -15.69 62.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -127.95 -29.42 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 102.59 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.54 60.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.78 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -162.21 155.92 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.477 ' N ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -60.79 138.4 93.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.541 0.686 . . . . 0.0 110.902 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.86 3.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.619 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.9 t -132.63 -52.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.619 ' N ' HG23 ' A' ' 50' ' ' THR . 14.8 p -100.18 -3.58 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.78 ' C ' HG22 ' A' ' 47' ' ' THR . 4.6 mmm-85 34.43 63.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.557 ' N ' HG22 ' A' ' 47' ' ' THR . 7.4 tmm? -129.61 116.45 18.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 53' ' ' MET . 0.8 OUTLIER -34.29 120.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 56' ' ' LEU . 3.1 m -114.32 -41.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.15 162.22 52.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.119 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -35.99 80.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -75.96 -34.64 59.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.944 HD22 ' OD1' ' A' ' 11' ' ' ASN . 11.5 mt -66.45 -55.91 13.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -2.68 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.66 16.99 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.671 ' O ' ' HE3' ' A' ' 9' ' ' MET . 0.4 OUTLIER -157.01 26.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 9' ' ' MET . 1.5 t70 83.43 -21.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.944 ' OD1' HD22 ' A' ' 6' ' ' LEU . 11.4 t30 47.54 22.81 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -111.14 120.47 61.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 17' ' ' ARG . 31.9 t -62.84 115.15 4.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.713 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -65.14 -46.8 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.743 HG21 ' HB3' ' A' ' 37' ' ' CYS . 16.4 mt -36.92 -52.74 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.4 p -109.6 -0.8 18.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' CYS . 18.4 mtm180 44.69 63.05 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -128.42 -95.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -164.37 152.63 12.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.652 ' SD ' HG22 ' A' ' 32' ' ' ILE . 74.8 mtm -128.81 56.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -33.38 -37.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.1 t -179.67 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.08 64.9 1.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.72 161.8 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.868 ' HG3' HG23 ' A' ' 35' ' ' THR . 5.7 mmtt -109.29 165.8 11.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.5 ttp85 -112.02 144.96 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 75.0 mt -101.45 154.0 37.51 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.692 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 3.7 p -110.6 3.57 19.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 32.9 t30 82.97 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 30' ' ' ASN . 31.4 m170 -147.98 115.8 6.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 20' ' ' MET . 4.6 mt -94.41 135.82 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 14' ' ' ILE . 66.7 m-85 -147.94 148.17 30.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.582 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.7 m170 -44.04 141.13 1.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.868 HG23 ' HG3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -69.71 -24.09 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.9 p -87.99 -30.25 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.743 ' HB3' HG21 ' A' ' 15' ' ' ILE . 93.3 m -75.62 -41.3 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 34.0 mt -64.16 -62.77 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -48.4 -26.51 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.9 t -94.27 -19.98 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.414 ' N ' ' O ' ' A' ' 38' ' ' LEU . 42.8 t-105 -82.75 -47.21 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.589 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 28.0 m-85 -66.65 -18.76 65.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.42 -9.57 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.16 -34.34 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -130.52 104.37 7.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.23 46.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -144.17 125.7 14.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -34.79 136.39 0.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.37 2.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.624 HG23 ' N ' ' A' ' 51' ' ' CYS . 15.2 t -131.05 -51.45 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.624 ' N ' HG23 ' A' ' 50' ' ' THR . 17.1 p -103.84 -3.06 25.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 47' ' ' THR . 7.0 mpt_? 34.12 39.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 53' ' ' MET . 44.1 ttp -94.3 6.79 47.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.9 t0 63.64 143.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 27' ' ' LEU . 1.7 m -134.41 -44.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.36 161.06 55.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.56 0.695 . . . . 0.0 111.144 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.68 -26.63 27.77 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.76 2.307 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -80.55 -46.54 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -69.98 -29.58 66.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD23 HD13 ' A' ' 32' ' ' ILE . 7.6 mt -72.46 -61.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -8.41 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -93.31 16.72 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -158.47 30.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' MET . 8.7 t0 83.01 -19.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 11' ' ' ASN . 0.7 OUTLIER 39.64 34.19 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.46 122.7 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 17' ' ' ARG . 42.8 t -64.91 115.5 5.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -65.11 -46.52 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.717 HG21 ' HB3' ' A' ' 37' ' ' CYS . 19.5 mt -35.72 -53.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 p -109.8 -3.92 16.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 13' ' ' CYS . 13.2 mtm180 48.64 62.86 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -127.49 -95.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' O ' ' NE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.42 152.57 20.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.503 ' SD ' HG22 ' A' ' 32' ' ' ILE . 24.9 mtm -132.72 105.9 7.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.964 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG23 ' N ' ' A' ' 22' ' ' THR . 27.1 m -117.0 -47.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.533 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.26 176.92 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' THR . . . 34.04 68.39 0.21 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.52 144.7 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.928 ' O ' HG23 ' A' ' 32' ' ' ILE . 4.9 mmtt -109.3 177.12 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -130.38 111.98 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.664 HD12 ' HE1' ' A' ' 33' ' ' PHE . 72.4 mt -65.45 153.44 90.12 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.86 3.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.739 2.293 . . . . 0.0 112.318 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 4.3 p -106.46 0.05 24.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 6.8 t30 82.85 52.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 51' ' ' CYS . 36.5 m80 -152.86 116.09 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.928 HG23 ' O ' ' A' ' 25' ' ' LYS . 8.3 mt -94.52 143.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' ' 27' ' ' LEU . 56.0 m-85 -148.96 142.83 25.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 19' ' ' GLU . 22.9 m170 -43.97 131.58 5.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 m -57.21 -19.77 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.204 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -93.01 -42.13 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.717 ' HB3' HG21 ' A' ' 15' ' ' ILE . 78.0 m -67.95 -21.31 65.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 33' ' ' PHE . 22.9 mt -77.45 -59.18 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -55.36 -21.16 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.421 ' O ' ' NH1' ' A' ' 44' ' ' ARG . 2.5 t -93.4 -21.95 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -81.5 -52.44 7.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.7 -15.26 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -26.65 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 40' ' ' SER . 45.9 mtt85 -123.95 -26.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 177.4 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -144.98 27.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.816 HG22 ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -136.26 145.47 45.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -48.39 137.51 11.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.584 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.75 2.78 3.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 51' ' ' CYS . 11.5 t -135.93 -49.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.577 ' N ' HG23 ' A' ' 50' ' ' THR . 1.7 p -99.12 -3.29 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.816 ' C ' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER 34.45 62.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.592 ' N ' HG22 ' A' ' 47' ' ' THR . 11.2 tmm? -126.28 121.82 33.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.76 124.43 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.54 -38.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_