data_2d9l_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2d9l _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.25 -40.27 11.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -52.76 -38.97 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -76.5 -28.9 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' CD2' HG21 ' A' ' 62' ' ' ILE . 2.8 tt -67.98 -59.81 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -46.34 -22.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.12 -34.26 32.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 41.8 mtm -68.02 -60.98 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -62.4 -11.39 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.68 -34.82 27.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 18.4 mt -42.09 153.64 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -17.6 37.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.228 . . . . 0.0 112.312 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 2.8 p-80 -94.18 5.5 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -125.68 -12.35 6.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -45.38 -31.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -115.41 160.95 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.32 -179.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -96.05 -26.9 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 -70.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.55 -4.08 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 48.53 31.02 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.62 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 29' ' ' ARG . 3.6 ptp85 -70.99 89.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.11 66.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 136.66 33.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 3.5 t -127.18 18.65 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 32' ' ' THR . 19.9 m-85 -149.97 161.14 42.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 m -142.14 131.12 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 38' ' ' VAL . 35.2 t-20 -84.4 118.63 24.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -74.05 -23.95 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -80.34 -61.31 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' ND2' ' A' ' 35' ' ' ASN . 7.5 t -74.7 -26.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.79 34.85 37.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 p -116.03 -179.35 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 4.6 m-85 -114.98 103.82 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' TYR . 29.9 m -105.59 -175.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -116.38 179.87 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -60.78 -39.14 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.96 -59.04 5.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' SER . 79.6 m -62.32 -51.18 68.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' CYS . 79.2 p -37.81 -45.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.56 -37.43 68.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 17.8 m -63.7 -56.34 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -40.39 -48.26 2.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 9.0 mtp-105 -50.72 -45.19 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.13 -33.24 22.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 42.7 mt -61.17 172.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.9 t30 -141.53 122.13 8.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.9 Cg_endo -69.71 153.83 92.95 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.309 -0.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.26 4.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -60.15 -177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -120.51 115.66 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.27 146.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -145.11 127.86 16.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -52.42 158.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.436 HG21 ' CD2' ' A' ' 11' ' ' LEU . 60.2 mt -90.64 -38.8 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.2 p -103.89 -30.98 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.407 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 4.6 tmm? -78.36 -20.61 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -132.19 153.16 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -99.07 176.95 5.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -149.7 161.52 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.88 168.14 9.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -52.05 -61.42 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -41.52 -32.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -82.63 -54.58 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.0 mm -47.03 -58.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -52.15 -42.62 63.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.406 ' CE2' ' HE3' ' A' ' 36' ' ' MET . 7.0 t80 -59.79 -41.35 90.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.79 -33.48 60.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.468 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 48.7 mt-30 -70.03 -42.08 73.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -69.13 -15.17 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.6 m80 -106.16 -75.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.58 162.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -66.58 -17.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.47 -67.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' CYS . 33.1 m -86.81 -45.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' VAL . 8.4 m -38.32 -67.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -43.01 -64.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.94 -45.35 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.74 -29.73 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 120' ' ' TRP . 99.6 m95 -91.99 -14.89 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -110.63 24.36 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.64 -51.99 21.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.514 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.67 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.772 0.238 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.18 158.52 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -112.24 43.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -127.66 -37.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.55 135.0 19.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.59 9.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.4 -41.26 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -51.43 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 67.0 t -62.93 -32.13 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -71.77 -59.6 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.78 -33.64 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.4 t80 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.15 -35.25 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 116' ' ' GLU . 98.1 mt-30 -62.55 -52.03 65.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.459 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 9.1 mt-10 -57.31 -12.67 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.408 ' NZ ' HD22 ' A' ' 88' ' ' LEU . 6.4 tttp -96.46 -32.0 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -116.46 -56.06 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -57.18 -41.75 79.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 19.0 mmtp -103.79 -27.58 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.553 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 35.9 mttp 54.64 50.07 16.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -61.69 -67.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.5 m-90 -84.9 40.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 10.3 t80 -89.03 104.73 17.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.7 t -133.67 98.71 14.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 156.08 64.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -38.73 7.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -39.88 -38.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.1 mp -60.67 -46.01 91.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.99 -34.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtp -69.26 -39.31 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -51.21 -51.33 54.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.49 -47.35 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.56 -34.69 73.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 mtm -68.49 -52.97 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.454 HG23 ' CD1' ' A' ' 11' ' ' LEU . 68.2 p -55.95 -26.66 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -34.52 63.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.444 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 76.9 mt -46.86 151.28 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.01 19.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 29.3 p-80 -84.2 4.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -131.1 29.95 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -90.45 -32.91 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -121.27 179.26 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.37 174.57 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 24.7 t80 -104.83 -14.66 15.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -111.33 -68.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.4 p -84.91 4.79 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.51 29.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 29' ' ' ARG . 59.3 tt0 -62.88 159.33 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.1 tmt_? -96.41 110.34 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.15 68.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 125.04 11.64 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -119.13 19.71 12.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 14.8 m-85 -146.3 158.13 43.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 m -142.69 138.89 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -88.94 112.05 22.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mmt -68.57 -30.04 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -72.72 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -74.0 -31.28 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.75 31.51 26.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 p -115.96 -179.18 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -110.61 119.69 39.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -121.13 -179.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.8 p -109.89 176.06 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 4.9 m -61.86 -47.12 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -54.13 -37.35 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -78.57 -41.63 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.0 p -42.7 -29.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.44 -41.54 7.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -65.06 -51.07 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.0 mt -44.5 -47.44 10.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 51' ' ' ARG . 10.9 mtm105 -55.07 -46.35 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.02 -30.89 5.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 64.5 mt -61.1 167.37 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.954 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -137.88 120.19 10.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.79 158.42 91.12 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.352 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 120.02 6.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -61.27 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -126.03 122.11 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.42 152.8 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -150.42 119.1 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.4 m -44.71 151.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.44 -38.77 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -101.27 -49.75 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -59.16 -34.07 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 66' ' ' THR . 29.6 m -116.32 142.11 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' HG21 ' A' ' 65' ' ' THR . 14.7 t -88.31 170.42 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.91 170.73 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.5 t -125.04 158.22 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -44.39 -43.8 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -57.27 -63.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -50.29 -50.44 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mm -48.97 -59.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.17 -59.39 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -41.45 -56.48 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.5 mt -53.66 -56.23 19.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -49.81 -45.61 50.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -52.37 -30.87 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -109.35 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 57.28 159.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -55.37 -20.82 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 59.9 tt0 -47.57 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.48 -36.74 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.82 -68.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -41.67 -65.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.12 -49.17 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.8 mt -54.81 -28.57 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.422 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -94.63 -13.34 25.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.4 mt -111.1 17.14 20.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.91 -54.23 3.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' PHE . 13.8 mt -83.89 -42.29 16.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 4.5 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.785 0.244 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.69 156.38 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.86 47.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -133.7 -43.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -100.1 125.46 39.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -30.04 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -57.62 -41.39 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -74.23 -62.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -44.75 -41.9 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -58.46 -50.82 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.03 -61.07 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.2 t80 -48.77 -47.42 41.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.46 -42.16 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.9 mt-30 -61.58 -37.0 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.39 -17.5 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.446 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.22 -23.81 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -104.81 -54.82 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.7 mm-40 -72.36 -58.85 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.1 -25.07 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.502 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 44.8 mttt 53.41 25.86 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 14.4 ttt180 -35.7 -68.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -90.44 51.38 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.502 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 16.8 t80 -95.33 96.77 9.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 123' ' ' PRO . 55.8 t -120.99 98.83 47.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.747 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 122' ' ' VAL . 53.1 Cg_endo -69.86 152.15 68.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -30.7 22.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -45.04 -30.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.2 mm? -80.3 -37.29 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -57.72 -36.46 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mmm -78.5 -41.06 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -45.73 -59.02 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -45.05 -51.61 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.49 -45.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.433 ' CE ' HG22 ' A' ' 72' ' ' ILE . 13.1 mtm -58.61 -55.94 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.8 p -55.53 -28.49 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -34.69 67.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.0 mt -45.33 153.68 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -43.43 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -70.6 -12.0 61.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -116.84 37.43 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -92.39 -33.53 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -126.77 174.78 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.99 172.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.447 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 79.8 t80 -97.35 -4.15 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -132.37 -64.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 14.5 p -77.03 2.13 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.6 t70 34.95 51.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -104.86 103.17 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -38.66 145.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 91.08 47.98 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 54.5 Cg_endo -69.74 114.57 3.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 48.6 p -111.2 28.56 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' THR . 13.5 m-85 -150.72 151.79 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 41' ' ' PHE . 19.3 m -139.76 129.17 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 38' ' ' VAL . 50.4 t-20 -81.25 114.9 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.6 mmm -73.03 -32.31 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -65.91 -55.4 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 HG22 ' ND2' ' A' ' 35' ' ' ASN . 4.9 t -85.44 -30.72 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 85.33 35.83 11.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -116.51 178.19 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CD2' HG11 ' A' ' 34' ' ' VAL . 18.6 m-85 -110.85 114.23 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' TYR . 27.1 m -120.09 -176.23 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 45' ' ' SER . 12.0 t -69.05 -27.13 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 44' ' ' THR . 15.0 t -68.83 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' SER . 56.4 m -56.97 -44.33 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.7 p -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.4 -31.95 60.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.7 m -70.34 -48.84 54.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.12 -46.97 12.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -49.27 -41.07 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.75 -38.02 28.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.05 171.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.6 t30 -139.72 121.01 9.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.2 Cg_endo -69.82 155.81 93.24 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 -1.819 . . . . 0.0 112.315 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.33 9.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -62.16 -178.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -122.76 122.92 39.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.1 m -124.64 153.96 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -152.68 125.64 8.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 64.6 m -53.55 147.9 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.5 mt -84.68 -43.15 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -91.32 -54.14 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.451 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.3 tpt -55.74 -38.8 70.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -116.11 141.75 47.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.06 177.83 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.6 t -129.59 152.67 48.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 31.4 tp60 -36.28 -46.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -51.34 -61.52 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.44 -51.9 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.433 HG22 ' CE ' ' A' ' 14' ' ' MET . 24.1 mm -41.82 -61.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' GLN . 12.5 mm-40 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -39.76 -40.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.9 -34.01 64.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' GLU . 32.9 mt-30 -70.28 -41.68 73.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -62.78 -13.84 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.8 m80 -117.09 -75.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.61 159.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.9 -14.14 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -52.98 -64.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.21 -37.0 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -45.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 36.3 tttt -42.75 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.2 -48.02 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.15 -30.08 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.42 ' C ' HD22 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -10.37 36.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.4 mt -116.17 20.98 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.76 -51.63 12.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.4 mt -85.99 -39.91 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.798 0.249 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -85.83 163.57 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.67 38.08 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -127.12 -28.6 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.65 125.77 30.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.403 ' HG2' ' NE2' ' A' ' 105' ' ' GLN . 53.7 Cg_endo -69.82 -27.01 26.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.403 ' NE2' ' HG2' ' A' ' 104' ' ' PRO . 26.2 mp0 -61.77 -48.15 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -67.99 -59.12 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.2 t -46.45 -42.69 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -57.86 -61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.39 -60.52 2.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 1.4 t80 -51.65 -47.92 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.83 -50.17 71.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 28.9 mt-30 -56.84 -49.67 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.21 -13.14 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -113.3 -14.86 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -117.95 -54.51 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 18.4 mt-10 -71.91 -59.01 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -74.62 -26.45 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.409 ' HE2' ' CG ' ' A' ' 121' ' ' TYR . 26.2 mtpt 57.65 40.72 26.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.9 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -85.14 51.58 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.409 ' CG ' ' HE2' ' A' ' 118' ' ' LYS . 24.9 t80 -97.34 127.92 43.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -151.73 105.2 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.69 65.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.93 11.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.74 -35.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.51 -49.59 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -46.19 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 49.6 mmm -60.5 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -40.51 -61.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -42.75 -49.31 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.85 -42.81 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.3 mtm -59.78 -49.54 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -62.12 -14.06 33.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.43 -23.9 49.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 mt -47.62 151.93 1.37 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -17.59 37.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -98.08 2.14 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -128.29 12.31 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -66.47 -28.16 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.75 169.31 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -56.67 173.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 9.1 t80 -96.72 -22.14 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -68.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.79 -8.55 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.1 40.71 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -90.62 135.51 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.52 146.51 51.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 56.2 3.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 119.59 6.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 71.4 p -111.6 27.89 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 44' ' ' THR . 13.3 m-85 -150.64 156.36 41.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.14 134.92 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.423 ' ND2' HG21 ' A' ' 38' ' ' VAL . 23.5 t-20 -84.79 115.33 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmt -73.35 -29.07 62.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -75.42 -57.68 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' ND2' ' A' ' 35' ' ' ASN . 12.9 t -77.49 -30.17 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 34.62 23.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 p -118.55 179.17 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -108.52 118.26 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.69 -176.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.63 179.86 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.489 HG21 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.95 -35.65 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -62.83 -67.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.6 m -56.82 -54.32 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.0 p -37.75 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -78.38 -38.8 24.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' CYS . 5.3 t -70.71 -48.59 53.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.919 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.15 -38.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 -61.82 -48.98 78.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.07 -31.03 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 15.4 mt -62.9 174.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 17.2 t30 -143.9 121.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.74 156.98 92.47 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -61.69 -175.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -125.98 113.9 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.29 139.12 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -138.71 121.03 15.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.426 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 12.0 m -48.64 154.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' A' ' 11' ' ' LEU . 74.5 mt -90.11 -32.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -100.98 -51.53 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.426 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 19.6 mtm -59.06 -38.04 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 m -110.74 144.15 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -88.92 -177.4 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CD2' HD21 ' A' ' 11' ' ' LEU . 32.2 m-85 -147.62 -176.42 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 71' ' ' GLU . 6.3 t -140.34 162.25 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -48.83 -46.09 41.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -55.52 -62.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG2' ' CG2' ' A' ' 68' ' ' THR . 69.7 mm-40 -49.22 -53.15 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.44 ' CD1' HD22 ' A' ' 11' ' ' LEU . 43.7 mm -49.23 -42.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.97 -51.91 65.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 3.4 t80 -53.75 -48.75 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.2 -47.54 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.35 -47.7 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -52.48 -32.16 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 79' ' ' GLY . 32.4 m80 -99.99 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.82 162.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -63.87 -12.91 40.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.09 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.98 -36.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -45.45 -67.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -41.52 -65.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLY . 30.1 mt-30 -44.9 -52.12 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -52.46 -27.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.421 ' C ' HD22 ' A' ' 88' ' ' LEU . 98.2 m95 -95.85 -14.07 23.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.1 mt -112.27 3.13 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -37.73 -32.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.87 -12.67 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.486 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 33.2 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.804 0.252 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.68 167.85 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -119.92 -37.37 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -49.57 -30.77 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -110.32 119.08 47.84 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.574 0.702 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -36.11 11.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -52.19 -48.33 65.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.8 -60.75 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -45.06 -43.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -48.45 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -43.82 -45.63 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.99 -39.89 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 116' ' ' GLU . 81.4 mt-30 -59.4 -52.14 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -54.48 -14.39 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 115' ' ' TYR . 13.7 ttmt -100.87 -33.85 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 17.7 m-85 -112.47 -55.94 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.5 tm-20 -55.48 -56.22 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -26.58 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.52 ' HD2' ' CD2' ' A' ' 121' ' ' TYR . 3.5 mtmp? 56.57 54.13 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -64.48 -67.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.486 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.9 m-90 -86.83 49.75 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 118' ' ' LYS . 12.2 t80 -94.36 92.78 7.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.6 t -117.87 101.15 52.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.83 51.94 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.94 -26.36 62.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.9 mm? -68.93 -51.37 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.59 -44.79 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 mmm -68.29 -38.95 82.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -45.57 -42.96 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -61.76 -48.65 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -42.38 -39.9 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 39.1 mtm -65.83 -59.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -47.22 -40.22 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.15 -32.35 56.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.537 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' NE2' ' A' ' 19' ' ' HIS . 89.8 mt -50.07 153.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.74 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 81' ' ' GLU . 4.8 p-80 -67.74 -3.62 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.537 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 15.5 m-80 -108.67 -28.14 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 26.7 mmm180 -36.3 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASN . 12.5 pttp -132.27 168.58 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.86 -179.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 2.3 t80 -100.23 -23.23 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -113.3 -69.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 16.3 p -71.69 -1.32 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 44.52 34.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.66 100.84 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.9 mtt-85 -45.92 105.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.89 68.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.4 50.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.284 . . . . 0.0 112.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -128.76 12.92 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -147.42 167.93 23.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 HG11 ' CG ' ' A' ' 41' ' ' PHE . 18.4 m -149.78 125.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' A' ' 38' ' ' VAL . 40.8 t-20 -78.02 123.0 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' CE2' ' A' ' 74' ' ' PHE . 9.1 mmt -80.59 -29.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -72.3 -46.01 57.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.456 HG23 ' ND2' ' A' ' 35' ' ' ASN . 23.4 t -90.99 -23.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 30.85 56.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 p -114.93 178.48 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 10.5 m-85 -109.61 113.66 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -117.1 -176.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -116.68 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 t -54.94 -37.76 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 t -66.41 -67.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.6 m -54.96 -23.67 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -69.85 -53.9 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.5 64.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.3 t -83.11 -42.6 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.92 -37.99 54.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -67.5 -43.08 81.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.84 -35.61 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 49.6 mt -52.86 166.15 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -132.14 119.17 16.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.9 91.5 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.376 -0.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 118.82 5.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.72 163.93 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.67 141.97 27.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.05 125.04 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -132.54 140.38 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 45.9 m -53.09 168.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -88.82 -53.91 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -102.97 -37.15 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.451 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -61.42 -15.96 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.9 m -118.54 153.12 34.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -105.14 120.1 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.55 -179.47 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.7 t -139.58 151.43 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' THR . 15.4 tm0? -34.22 -39.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -54.61 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 52.4 mm-40 -55.76 -55.6 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.2 mm -38.56 -46.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.33 -46.31 77.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 36' ' ' MET . 39.1 t80 -56.73 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.1 mt -57.1 -59.42 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 72.1 mt-30 -52.07 -53.09 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -44.6 -22.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.0 -75.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 56.09 161.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -55.46 -17.28 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 23.8 tt0 -48.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.98 -32.93 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.94 -68.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 18.9 ttpt -41.37 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -44.45 -50.0 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -52.83 -29.78 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.41 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.5 m95 -92.65 -19.62 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 88' ' ' LEU . 5.5 mt -101.88 20.93 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.67 -47.93 17.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.34 -25.65 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.563 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.808 0.253 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.96 158.57 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 8.0 m-85 -113.91 40.13 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -125.73 -38.1 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.26 127.86 40.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.41 25.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.14 -52.17 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.03 -54.63 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.22 -36.96 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.6 -53.16 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -59.95 -47.32 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.7 t80 -61.6 -44.91 96.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.6 mt -58.8 -45.16 90.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 116' ' ' GLU . 59.6 mt-30 -59.73 -52.6 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 78.9 mm-40 -57.64 -13.0 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -92.69 -36.71 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.36 -55.08 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.3 mt-10 -52.66 -37.19 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 27.2 mmtp -111.1 -23.49 10.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.8 mttm 54.83 51.71 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -58.46 -70.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.3 m-90 -85.58 38.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.76 110.32 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.27 105.0 9.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.68 0.752 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 151.06 69.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 124' ' ' PRO . 78.0 mm-40 -34.63 -32.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 124' ' ' PRO . 21.0 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.26 -52.73 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -43.21 -49.03 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' LEU . 8.9 mtt -71.94 -45.93 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -35.16 -47.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' ASP . 19.5 ttp180 -61.07 -48.8 80.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' MET . 22.2 t70 -36.63 -41.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -66.73 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -47.06 -40.93 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.68 -38.69 53.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 88.9 mt -48.93 151.46 2.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.44 9.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 3.0 p-80 -69.91 -14.09 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 8.1 m-80 -93.28 -37.68 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASN . 30.4 mmm180 -37.86 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ASN . 22.4 mmtm -117.61 156.85 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 -179.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -99.17 -39.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.64 -70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 14.3 p -72.51 -3.02 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 45.64 36.55 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 tp-100 -80.04 130.94 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -69.86 111.71 5.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.94 65.78 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.98 31.71 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 9.8 p -122.98 20.38 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 15.8 m-85 -150.64 164.94 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.0 133.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' ND2' HG21 ' A' ' 38' ' ' VAL . 34.5 t-20 -82.25 113.82 20.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.464 ' CE ' HD11 ' A' ' 75' ' ' LEU . 5.2 mmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.8 m -81.62 -51.43 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG21 ' ND2' ' A' ' 35' ' ' ASN . 24.7 t -87.04 -30.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.3 28.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -107.87 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 13.0 m-85 -109.45 103.45 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -106.94 176.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.75 175.73 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 14.1 t -55.41 -39.79 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 44' ' ' THR . 73.8 m -63.03 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 72.6 m -51.01 -52.83 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.0 p -40.75 -31.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.4 -37.58 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.7 t -68.63 -49.78 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -44.57 -46.52 10.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -52.7 -43.09 65.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.83 -34.42 29.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 32.9 mt -55.07 171.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.353 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 5.6 t30 -144.62 119.14 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.76 154.95 93.45 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.14 14.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -68.25 -179.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 113.98 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.69 143.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.45 126.12 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 58.5 m -51.06 154.08 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 33' ' ' TYR . 87.2 mt -86.45 -39.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -97.79 -49.13 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.439 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 21.1 ttp -61.8 -40.47 95.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -111.5 143.25 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.5 p -98.3 -176.39 3.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -148.55 172.5 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -118.9 162.35 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -46.32 -59.72 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.7 pt20 -45.44 -32.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 71.8 mt-10 -81.1 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.45 HG21 ' CE ' ' A' ' 14' ' ' MET . 25.2 mm -36.37 -66.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -44.3 -59.21 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t80 -42.4 -48.4 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD11 ' CE ' ' A' ' 36' ' ' MET . 8.7 mt -67.68 -34.53 77.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.39 -52.6 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.575 ' HE3' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -56.48 -13.03 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.575 ' CE1' ' HE3' ' A' ' 77' ' ' LYS . 26.2 m80 -102.78 -75.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.86 161.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -70.6 -6.95 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -58.7 -61.1 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -92.52 -35.93 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.0 m -46.85 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -42.18 -65.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.07 -48.98 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mt -54.01 -32.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.424 ' C ' HD22 ' A' ' 88' ' ' LEU . 97.7 m95 -90.39 -14.97 31.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.2 mt -110.12 20.25 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.75 17.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.86 -35.39 12.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.52 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.5 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.843 0.268 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.55 149.92 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.5 40.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -124.64 -13.45 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.98 126.5 23.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.66 31.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -68.82 -44.27 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -72.2 -53.73 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 64.2 t -51.56 -43.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -55.36 -52.32 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.28 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.9 t80 -46.69 -45.35 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.62 -40.6 88.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 48.1 mt-30 -58.74 -37.25 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.77 -16.8 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.9 -22.75 13.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -106.85 -54.84 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.5 mt-10 -71.88 -55.5 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -81.79 -27.8 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 65.9 mttt 49.57 38.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.8 ptm180 -55.75 -49.82 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 3.2 m-90 -91.16 26.78 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.417 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 24.7 t80 -80.52 123.02 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.23 105.01 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 148.63 65.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.5 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.96 -26.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 124' ' ' PRO . 2.1 tp-100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.8 mp -43.27 -46.5 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' LEU . 19.3 tttp -36.21 -39.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' LEU . 10.1 mtp -77.93 -41.44 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -37.7 -46.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -60.77 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -40.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.409 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 1.9 mpp? -72.01 -50.73 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.7 p -54.68 -16.09 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.56 8.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 84.7 mt -41.3 154.04 0.24 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.66 6.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 10.0 p-80 -72.87 -3.92 28.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -124.6 36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -93.6 -33.32 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -124.95 172.39 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.7 t -59.33 172.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -98.59 -22.52 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.15 -61.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.67 5.82 41.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 28.2 m-20 40.16 38.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.73 124.36 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -62.92 131.37 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 58.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.97 16.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 62.0 p -118.08 26.22 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.479 ' CE1' HG22 ' A' ' 44' ' ' THR . 16.9 m-85 -150.37 164.05 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -150.26 123.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.32 113.1 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mmt -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 m -73.57 -57.2 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -81.53 -28.54 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.65 31.55 29.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 p -111.83 -179.33 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.26 113.85 26.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m -121.18 -179.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -113.58 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 HG22 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.25 -53.56 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -55.46 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.9 m -68.92 -27.02 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -34.72 17.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 51' ' ' ARG . . . -83.32 -30.21 31.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -69.84 -41.34 75.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.73 -46.24 79.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' CD ' ' HA2' ' A' ' 48' ' ' GLY . 22.9 ptt180 -68.9 -14.75 63.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.47 -28.21 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.54 -176.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.9 t30 -144.46 119.92 6.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.5 Cg_endo -69.73 156.76 92.56 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.387 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.24 18.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -71.13 -176.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -122.21 112.39 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.51 136.32 52.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -135.82 125.11 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.8 m -49.21 154.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.43 -32.75 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 t -102.81 -50.59 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtt -60.99 -42.42 98.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -108.08 137.06 46.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.5 t -91.53 174.57 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -138.14 -175.8 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLN . 3.6 t -133.04 156.8 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' THR . 29.3 tp60 -35.83 -58.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -43.69 -67.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -46.74 -53.31 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.9 mm -42.98 -56.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.79 -47.2 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 5.2 t80 -51.35 -37.61 48.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.25 -63.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.409 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 36.5 mt-30 -48.03 -46.72 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -47.76 -33.97 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -104.93 -74.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 162.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -59.26 -14.62 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -50.96 -63.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.32 -39.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -41.51 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.3 tttm -39.78 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -44.45 -50.78 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -52.04 -29.14 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -94.58 -14.0 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD2' ' HE2' ' A' ' 114' ' ' LYS . 1.2 mt -114.03 18.41 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.96 -50.82 7.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.6 mt -84.52 -43.55 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.6 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.769 0.237 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.06 158.79 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.7 m-85 -111.31 -26.38 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.4 -25.25 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.22 115.14 40.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.3 11.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -88.05 -41.73 12.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -72.84 -30.19 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.0 -43.01 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.35 -57.24 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.7 pt-20 -49.66 -38.23 31.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -71.87 -45.72 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.15 -32.95 50.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.5 mt-30 -65.58 -41.43 92.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.16 -14.66 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HE2' ' CD2' ' A' ' 88' ' ' LEU . 23.8 ttmt -106.72 -26.09 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.7 -53.39 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -71.18 -59.09 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -78.47 -22.66 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.538 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 61.2 mttt 52.07 28.15 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' LYS . 7.5 ttt85 -35.42 -66.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -95.8 56.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.538 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 11.8 t80 -97.76 99.31 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.32 99.91 36.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 157.82 59.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.733 2.288 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.79 -40.95 4.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.5 pt-20 -37.3 -32.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 124' ' ' PRO . 71.1 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.81 -33.62 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -40.94 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 mmt -74.74 -27.16 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.57 -40.1 96.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -63.85 -43.1 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.29 -37.53 16.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.7 mtm -71.83 -55.62 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.6 p -45.7 -29.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -67.03 -44.94 87.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 67.8 mt -37.54 144.06 0.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -30.04 23.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 5.4 p-80 -78.37 4.58 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' LYS . 37.4 m-20 -125.87 -24.28 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 5.2 mmm180 -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -122.12 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.25 177.27 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 22.4 t80 -106.83 -17.23 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -58.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 24.5 p -94.42 12.46 27.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 t70 40.16 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tp-100 -67.55 130.07 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 120.02 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.24 63.91 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.77 52.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -133.23 20.75 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 21.9 m-85 -150.82 163.92 37.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.66 126.24 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' ND2' HG23 ' A' ' 38' ' ' VAL . 32.5 t-20 -76.46 109.64 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -68.46 -27.45 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -75.44 -61.03 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 HG12 ' CZ2' ' A' ' 87' ' ' TRP . 17.0 t -75.52 -27.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 32.13 36.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 171.54 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -98.82 117.95 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.29 -176.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 p -119.87 179.61 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 11.2 t -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 t -71.55 -36.51 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.3 m -84.34 -34.1 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 p -50.45 -39.42 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 -35.08 37.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -66.95 -54.71 19.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -41.97 -48.79 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -54.06 -37.67 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.76 35.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.63 178.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 39.2 t30 -148.47 121.45 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.75 154.13 93.15 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.34 -0.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.66 9.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -67.48 167.34 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -101.11 114.85 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.17 148.09 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -150.62 146.79 26.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 9.7 p -64.48 170.47 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.5 mt -92.65 -51.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.9 m -100.54 -43.56 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.488 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -54.67 -14.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.462 ' CG2' ' CE1' ' A' ' 67' ' ' PHE . 1.3 t -133.02 142.18 48.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -99.52 130.99 45.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 65' ' ' THR . 81.6 m-85 -105.56 148.49 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -92.73 166.07 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -39.79 -67.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -44.44 -52.9 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -52.72 -45.23 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.68 -60.59 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.28 -54.63 10.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -44.85 -50.06 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.3 -62.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -47.14 -54.0 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -45.91 -28.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -106.29 -75.22 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.81 163.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.34 -18.57 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.63 -64.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.6 -39.64 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.3 m -41.79 -66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 10.9 ttmm -42.6 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -44.79 -45.75 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.46 -30.62 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.441 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -93.24 -8.77 41.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 87' ' ' TRP . 2.3 mt -113.36 11.51 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -34.38 -56.23 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.3 -46.61 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.816 0.257 . . . . 0.0 112.307 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.09 148.41 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 3.5 m-85 -98.8 -42.12 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -38.99 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' PHE . 45.2 m-20 -121.87 137.94 27.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -43.77 -49.65 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -56.37 -50.96 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.87 -33.11 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -69.97 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -40.98 -34.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.9 t80 -84.94 -46.04 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.493 HD21 ' CE2' ' A' ' 115' ' ' TYR . 13.4 mt -55.37 -26.71 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.3 mt-30 -72.05 -46.39 57.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -66.98 -11.95 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -106.5 -19.0 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.493 ' CE2' HD21 ' A' ' 111' ' ' LEU . 15.5 m-85 -117.44 -51.1 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.4 mm-40 -72.92 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.19 -28.35 42.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt 55.9 38.56 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -47.61 -66.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.62 57.02 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -103.57 122.83 45.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.3 t -148.69 105.12 3.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 147.97 63.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -31.52 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 124' ' ' PRO . 54.5 mm-40 -37.44 -28.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.495 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -43.3 -45.93 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' MET . 25.5 tptt -72.68 -47.97 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.9 mtp -35.94 -53.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' MET . 12.7 mt -36.39 -49.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -47.92 -44.43 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' MET . 8.8 t70 -56.72 -45.15 82.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.2 mtm -59.89 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -44.96 -38.17 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -55.66 -45.33 85.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 82.3 mt -37.91 150.1 0.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.39 4.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 5.3 p-80 -67.43 -4.31 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' LYS . 25.3 m-20 -114.08 -20.18 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -43.32 -23.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -138.16 154.86 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.57 179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.444 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 13.8 t80 -96.75 -36.68 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -98.02 -70.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.87 -0.79 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 46.11 29.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -64.75 119.68 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.55 87.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.37 71.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.88 48.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 2.8 t -133.47 17.41 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 32' ' ' THR . 24.3 m-85 -151.04 170.92 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' ' HG3' ' A' ' 60' ' ' LYS . 14.6 m -140.76 135.56 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 37' ' ' THR . 18.9 t-20 -92.35 63.19 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 3.5 mmt -34.23 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ASN . 23.9 m -56.6 -51.79 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' ASN . 45.5 t -93.21 -40.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.96 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -113.3 -178.95 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.26 119.3 39.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.1 m -118.35 175.76 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 p -112.62 -179.19 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -60.51 -43.4 97.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -57.84 -67.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 49' ' ' SER . 78.0 m -49.79 -54.12 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.6 p -34.78 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -76.78 -43.57 17.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' CYS . 11.9 t -59.66 -59.01 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 35' ' ' ASN . 31.1 mt -46.9 -45.72 20.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -55.71 -31.18 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.9 -28.33 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 45.1 mt -60.62 168.89 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 32.5 t30 -137.46 121.21 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.74 154.22 93.16 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.318 -0.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.12 15.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.8 -176.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -122.97 114.73 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.16 152.66 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' ' CE2' ' A' ' 67' ' ' PHE . 1.1 ptpp? -156.64 145.96 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 68.3 m -62.02 160.72 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 11' ' ' LEU . 36.3 mt -91.57 -40.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -104.04 -32.09 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.462 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 26.2 mtp -81.69 15.56 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 66' ' ' THR . 45.4 m -154.2 133.73 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 67' ' ' PHE . 36.0 m -83.45 145.33 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.467 ' N ' HG21 ' A' ' 66' ' ' THR . 33.1 m-85 -123.68 163.93 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 168.7 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.69 -54.69 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -52.61 -38.43 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.85 -58.07 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.7 mm -42.43 -49.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -57.93 -55.24 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 t80 -44.72 -36.69 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.7 -63.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -47.27 -53.59 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -41.97 -36.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -104.02 -75.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.58 161.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.94 -16.99 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.325 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.02 -65.92 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 m -89.33 -35.73 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.84 -68.12 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.444 ' NZ ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -43.46 -65.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -44.95 -44.86 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.86 -29.74 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.429 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.7 m95 -92.64 -11.81 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.2 mt -111.54 20.61 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.63 28.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.16 16.77 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 13.7 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.537 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 166.31 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.14 -36.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -51.48 -34.03 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -105.67 125.82 32.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -42.9 3.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -47.1 -55.0 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -53.34 -56.63 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.7 t -50.41 -55.66 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -38.45 -51.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.55 -65.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.537 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.9 t80 -45.3 -41.01 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.433 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 16.7 mt -61.77 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 44.2 mt-30 -58.14 -58.15 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -56.54 -13.17 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -95.51 -34.18 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -118.01 -55.94 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -53.68 -39.93 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -106.55 -28.05 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp 59.57 48.12 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -56.07 -72.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.5 m-90 -84.54 48.23 1.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -93.55 124.48 37.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.36 105.01 2.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.734 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.67 68.6 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.4 Cg_endo -69.73 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.4 pt-20 -35.1 -36.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 -52.39 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -41.95 -57.15 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ASP . 14.8 mtt -65.03 -39.24 93.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD11 ' CG2' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -36.1 -57.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -61.65 -39.08 90.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' MET . 4.4 t70 -45.52 -50.41 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.453 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 3.0 mpp? -58.48 -59.77 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.8 p -48.02 -38.0 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.83 64.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 77.6 mt -48.3 150.83 2.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.19 11.19 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 6.5 p-80 -75.34 -10.88 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 11.4 m-80 -97.93 -29.94 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 55.8 mmm-85 -36.98 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -130.4 161.79 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.57 179.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -98.48 -31.39 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CG ' HD13 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -99.79 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' GLN . 27.9 p -84.09 7.08 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER 40.52 25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.1 tp-100 -59.6 119.05 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.46 78.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.38 70.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.98 52.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 p -133.85 15.17 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' VAL . 12.0 m-85 -151.11 167.6 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.501 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 13.4 m -137.56 143.87 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 39' ' ' GLY . 48.6 t30 -103.53 90.23 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.17 -46.32 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -49.62 -37.97 30.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' ND2' ' A' ' 35' ' ' ASN . 5.0 t -118.85 19.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.4 34.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -105.67 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 21.6 m-85 -116.95 110.22 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.0 m -111.91 -175.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.11 178.92 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -53.89 -48.94 69.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.7 t -59.18 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' SER . 85.1 m -52.42 -59.06 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' CYS . 73.6 p -34.91 -47.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 -35.76 58.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' CYS . 64.0 m -61.45 -46.15 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.75 -31.62 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -57.53 -49.57 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.53 -33.68 12.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 75.7 mt -55.55 166.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 63.1 t-20 -137.94 119.99 10.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.66 0.743 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.72 156.52 92.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.345 -0.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 116.55 4.62 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.23 -178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -122.0 130.41 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.58 150.09 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.4 ptmt -148.75 122.44 9.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 1.6 t -43.63 158.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' CG2' HD11 ' A' ' 11' ' ' LEU . 77.3 mt -90.95 -34.49 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -103.69 -49.13 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.461 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 3.0 mtt -57.17 -35.85 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 m -108.04 136.75 47.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -84.57 151.09 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 4.5 m-85 -122.91 162.45 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -123.85 156.33 36.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' THR . 55.9 tp60 -36.42 -61.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -38.82 -61.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.65 -49.4 65.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.7 mm -44.96 -53.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.22 -38.28 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.29 -45.88 91.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.84 -57.49 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.453 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 21.2 mt-30 -54.63 -44.19 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.16 -34.45 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 33.1 m80 -98.86 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.66 159.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -66.42 -8.22 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -62.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.71 -37.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.4 m -46.47 -68.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 ttpt -43.55 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -45.08 -46.56 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.42 -29.01 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.423 ' C ' HD22 ' A' ' 88' ' ' LEU . 99.0 m95 -93.19 -12.68 29.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -112.94 18.82 17.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.69 -31.54 9.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.69 -34.09 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.758 0.232 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.73 124.61 47.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 1.4 m-85 -74.6 -0.79 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 1.8 mpt_? -95.76 21.85 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.4 129.12 3.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.31 31.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -76.95 -37.89 54.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -76.68 -38.73 53.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 101' ' ' PHE . 77.2 t -74.91 -46.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -64.51 -54.2 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -52.49 -38.96 60.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.515 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.8 t80 -74.69 -43.79 53.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.412 HD13 ' CG ' ' A' ' 25' ' ' ASP . 13.8 mt -55.59 -34.52 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLU . 41.2 mt-30 -66.03 -40.88 91.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.73 -14.75 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.506 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -110.76 -23.38 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.26 -52.66 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' GLN . 12.2 mm-40 -76.4 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -21.04 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt 46.28 37.29 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -45.83 -69.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' TRP . 1.2 m-90 -88.02 58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.67 113.18 26.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.73 108.47 9.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.01 66.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -44.06 2.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -53.66 -16.13 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.56 -48.4 69.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -61.36 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASP . 63.6 mmm -59.74 -42.75 93.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD11 ' CG2' ' A' ' 62' ' ' ILE . 1.5 tm? -38.05 -47.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -58.61 -42.17 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' MET . 10.8 t70 -45.15 -52.42 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 mpp? -57.16 -65.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.6 p -44.99 -30.49 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.14 -49.76 75.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 15.2 mt -40.62 149.76 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.69 10.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 4.9 p-80 -72.13 1.38 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . 42.2 m-20 -114.28 -33.61 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -37.24 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ASN . 79.0 mttt -122.01 178.68 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.49 174.92 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 3.9 t80 -105.05 -22.45 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -102.31 -62.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 p -93.66 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 49.31 26.08 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.34 148.75 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -90.38 98.62 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.37 68.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.96 36.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.7 p -130.4 19.06 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 13.5 m-85 -146.92 170.03 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 16.0 m -146.84 129.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' GLY . 49.1 t30 -86.25 87.36 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.3 mmt -45.46 -48.13 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.0 m -50.32 -34.69 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 2.5 t -120.34 19.09 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 35.14 35.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 87.8 p -104.18 179.93 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 9.1 m-85 -117.6 108.53 15.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -112.64 -177.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 p -113.67 176.04 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 m -61.97 -31.7 72.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -68.44 -39.61 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -76.0 -36.23 59.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.6 p -44.29 -35.9 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.37 -34.98 30.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -69.0 -56.52 7.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.1 mt -47.74 -49.34 28.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -58.63 -36.59 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.43 -28.17 59.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 38.5 mt -63.68 171.56 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 28.3 t30 -137.96 121.22 11.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.73 157.85 91.53 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.746 -1.772 . . . . 0.0 112.336 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -62.59 -176.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -119.58 125.83 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 154.26 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -154.76 136.72 14.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -55.52 147.14 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 11' ' ' LEU . 70.4 mt -82.83 -38.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.165 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -99.53 -49.55 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 ttt -56.38 -37.66 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -107.78 131.07 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -82.87 149.2 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 2.3 m-85 -116.3 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -128.44 149.79 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' THR . 13.7 tm0? -34.42 -47.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -50.87 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.44 -44.42 84.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 HG23 ' NE2' ' A' ' 76' ' ' GLN . 38.7 mm -47.43 -52.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -51.9 -45.0 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -55.75 -56.5 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.4 -60.5 3.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.466 ' NE2' HG23 ' A' ' 72' ' ' ILE . 36.0 mt-30 -50.88 -44.39 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.32 -33.77 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.0 m80 -102.44 -75.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.82 158.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.42 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -65.04 -9.64 23.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 37.7 tt0 -55.22 -65.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 m -88.78 -41.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.1 m -42.16 -68.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.5 ttpp -41.03 -66.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.7 -48.34 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.4 mt -54.9 -30.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 114' ' ' LYS . 99.5 m95 -92.91 -15.71 26.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -110.76 24.16 13.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -53.55 -48.72 59.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 mt -86.62 -34.98 19.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HG3' ' CB ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.834 0.264 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.95 176.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.75 37.19 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -127.07 -36.15 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -100.99 130.66 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.94 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -64.89 -46.9 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -65.54 -47.1 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.4 -41.51 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -62.91 -59.85 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -48.46 -41.96 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 t80 -69.8 -43.68 71.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 25' ' ' ASP . 13.7 mt -58.76 -33.19 70.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.462 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 49.5 mt-30 -63.46 -38.21 90.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.01 -13.04 62.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.408 ' O ' ' CE3' ' A' ' 87' ' ' TRP . 2.9 ttpm? -113.66 -11.14 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.01 -50.41 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLN . 9.4 mt-10 -81.89 -58.84 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -71.5 -26.52 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 55.59 39.61 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -50.8 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.6 m-90 -88.04 51.5 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.45 122.87 37.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -149.83 105.23 3.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.74 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.7 66.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.2 Cg_endo -69.74 -36.77 10.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.388 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 124' ' ' PRO . 17.0 mt-10 -35.37 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 124' ' ' PRO . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.99 -55.51 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.857 0.36 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.76 -35.95 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 83.8 mtp -76.07 -27.69 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.92 -62.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -46.9 -37.1 8.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.23 -35.98 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.45 ' CE ' HD11 ' A' ' 72' ' ' ILE . 20.6 mtm -65.98 -57.54 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 p -55.89 -25.94 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -33.22 86.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -47.75 153.14 1.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.616 0.722 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -44.3 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.752 2.301 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -72.29 1.05 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -127.21 39.04 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.19 -21.34 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -127.99 163.33 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.64 175.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -102.75 -22.21 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.17 -66.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASP . 15.1 p -84.97 9.92 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t0 35.47 38.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 28.3 tt0 -76.35 145.18 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.59 110.72 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.52 66.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.97 29.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 57.1 p -128.83 25.26 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 32' ' ' THR . 11.7 m-85 -150.91 158.69 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.72 124.53 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.8 t-20 -83.67 109.73 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mmt -65.12 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' GLY . 3.4 t -110.4 13.53 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 34.46 36.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 65.7 p -110.56 177.43 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.39 113.23 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' TYR . 19.3 m -123.35 -175.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.3 p -118.16 -177.98 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -62.67 -61.01 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -38.64 -51.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -71.31 -46.06 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -40.28 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -32.63 66.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.0 p -76.81 -37.9 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.385 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.42 -35.06 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -65.59 -11.69 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.72 -38.49 23.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 72.5 mt -52.66 172.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -144.44 119.39 5.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 152.84 92.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.379 -0.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 135.96 31.8 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -75.81 178.85 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -112.06 113.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.56 120.69 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -123.48 127.55 48.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.73 155.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.7 mt -89.53 -40.23 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t -102.45 -51.89 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.11 -27.94 48.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -118.48 135.93 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.7 m -91.69 159.14 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.17 176.83 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.92 151.64 51.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -42.06 -37.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.35 -53.67 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.45 HD11 ' CE ' ' A' ' 14' ' ' MET . 32.5 mm -42.14 -66.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -41.82 -56.12 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -49.62 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.47 -53.27 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -45.25 -32.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 15.7 m80 -96.49 -75.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.63 158.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -65.22 -10.58 32.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.88 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.14 -35.68 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -45.66 -68.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.1 ttpp -40.81 -66.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -44.99 -50.74 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.36 -28.48 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.413 ' C ' HD21 ' A' ' 88' ' ' LEU . 98.8 m95 -94.26 -19.06 21.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 88' ' ' LEU . 5.7 mt -101.68 14.04 33.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -33.39 -41.99 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.98 -48.7 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 9.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.798 0.249 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.58 171.16 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -122.56 -33.17 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.62 -29.51 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -112.39 128.69 25.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -40.81 4.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -47.9 -50.28 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -56.77 -55.45 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.48 -44.49 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.05 -66.89 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.19 -61.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.558 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 6.1 t80 -44.83 -47.86 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.92 -30.64 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.9 mt-30 -73.22 -44.08 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.39 -12.77 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -103.75 -24.72 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -111.84 -54.28 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' GLN . 33.0 mm-40 -68.3 -58.35 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -27.52 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 47.0 49.02 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.479 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 8.0 ptm180 -66.84 -51.88 50.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.511 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.3 m-90 -84.8 8.23 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -65.88 130.77 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.5 t -153.36 109.38 2.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.66 60.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.75 19.82 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -50.88 -26.52 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.5 mm? -48.15 -57.5 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -41.16 -38.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.5 mtm -80.84 -33.94 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 1.5 tm? -55.4 -46.84 76.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -53.78 -56.91 13.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -43.97 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 mtm -58.96 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -51.89 -18.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' NE ' ' A' ' 21' ' ' ARG . . . -78.94 -29.8 49.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.5 mt -38.35 144.55 0.38 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -11.98 31.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 81' ' ' GLU . 2.2 p-80 -104.05 2.65 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . 83.6 m-20 -120.74 -18.11 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mmt180 -35.16 -36.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASN . 30.5 mtmt -117.65 178.49 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.21 179.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -92.55 -43.37 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CG ' HD13 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -96.19 -66.89 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 12.4 p -75.11 1.64 12.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 37.83 35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.4 tp60 -68.3 139.12 55.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -74.57 113.72 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.43 68.73 0.81 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.29 39.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -129.22 20.66 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 22.1 m-85 -147.86 161.32 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 67' ' ' PHE . 17.8 m -143.83 121.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' THR . 22.0 t-20 -76.4 63.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 81.5 mmm -33.75 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' ASN . 22.3 m -55.32 -53.27 58.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG21 ' ND2' ' A' ' 35' ' ' ASN . 20.4 t -87.35 -40.97 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.48 27.93 4.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 p -118.77 179.97 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -109.3 119.57 39.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' TYR . 23.5 m -119.37 -176.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.75 179.79 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.47 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 15.1 t -60.45 -34.62 74.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -67.05 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.5 m -53.17 -47.74 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.8 p -44.37 -32.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.33 -28.59 43.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.2 t -76.99 -45.28 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -52.6 -39.99 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.69 -32.35 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.58 -34.46 86.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 16.2 mt -57.07 173.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 18.8 t-20 -143.47 119.89 6.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.71 157.16 92.22 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.334 -0.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.43 47.89 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -86.77 178.4 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.8 tpt85 -110.32 140.68 44.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.25 133.48 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -136.1 121.52 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -44.66 151.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 11' ' ' LEU . 95.6 mt -87.92 -31.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -98.66 -54.95 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 29.6 tpp -57.46 -38.95 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.2 m -112.22 132.23 55.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 67' ' ' PHE . 23.5 m -94.26 154.66 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.465 ' CZ ' HG22 ' A' ' 34' ' ' VAL . 27.1 m-85 -114.86 -175.53 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 t -131.71 153.35 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' NE2' ' HG3' ' A' ' 73' ' ' GLU . 1.5 tm0? -38.53 -53.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.95 -60.77 2.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -53.91 -57.14 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mm -36.97 -48.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 13.6 mt-10 -59.1 -47.27 85.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 t80 -57.04 -25.78 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.5 mt -89.54 -41.37 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -64.44 -23.78 67.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -106.01 -75.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 163.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.84 -13.86 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 29.4 tt0 -50.97 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -93.42 -37.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -44.06 -68.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.4 ttpt -39.62 -66.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.6 -50.6 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.3 mt -52.07 -28.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.419 ' C ' HD22 ' A' ' 88' ' ' LEU . 99.3 m95 -94.29 -17.2 22.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 89' ' ' GLY . 6.4 mt -104.4 15.35 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -31.97 -44.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.52 -43.11 6.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 2.6 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.516 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.796 0.248 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.71 171.58 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 6.6 m-85 -124.62 -23.04 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.65 -14.85 61.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 108.11 40.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.89 -46.36 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.35 -50.07 49.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.1 t -47.27 -42.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -53.42 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.82 -55.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -55.03 -43.17 73.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.412 HD13 ' CG ' ' A' ' 25' ' ' ASP . 13.2 mt -63.45 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 95.9 mt-30 -65.84 -38.36 88.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 16.2 mt-10 -65.04 -15.79 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.449 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -103.18 -24.24 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -107.94 -54.67 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 24.9 mm-40 -71.03 -56.89 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 5.7 mmmm -80.93 -25.84 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.3 mttt 45.42 42.39 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.557 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.0 ptm180 -61.91 -40.23 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.557 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 4.9 m-90 -97.12 22.93 7.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.413 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 26.1 t80 -77.0 131.21 38.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 121' ' ' TYR . 53.6 t -159.09 105.02 1.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.5 68.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -40.47 5.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 124' ' ' PRO . 4.2 mp0 -35.72 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 124' ' ' PRO . 19.1 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mp -46.61 -44.67 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -42.11 -35.74 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LEU . 33.7 mtp -84.88 -47.39 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 67' ' ' PHE . 12.3 tp -37.0 -42.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -57.03 -56.38 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.57 -32.19 66.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.467 ' CE ' HD12 ' A' ' 11' ' ' LEU . 27.3 mtp -63.24 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.9 p -69.26 -12.11 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -92.78 -34.11 7.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mt -35.87 153.65 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.7 2.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -70.0 -9.57 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -118.29 34.86 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -90.66 -27.69 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -125.4 176.45 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' GLN . 2.2 t -71.73 174.02 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -94.74 -30.2 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.47 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.76 8.24 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.569 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 m-20 38.82 33.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' CYS . 17.2 tt0 -75.64 144.03 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 2.4 tmm_? -83.14 134.44 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 93.66 53.71 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 53.9 Cg_endo -69.76 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 10.3 t -108.29 28.31 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 32' ' ' THR . 24.0 m-85 -149.43 159.15 44.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.97 132.61 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' GLY . 37.8 t-20 -82.93 114.68 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.89 -24.98 55.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -76.76 -45.92 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.8 -31.33 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 86.71 26.24 32.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.2 p -107.08 175.92 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -110.96 109.68 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -112.73 -177.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.7 p -115.64 177.12 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' CZ ' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -57.68 -37.17 72.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.5 t -63.96 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' SER . 82.7 m -57.36 -51.8 67.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.7 p -41.74 -28.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.8 -32.86 20.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -72.69 -47.55 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -48.53 -33.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -65.35 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.55 -31.47 74.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD2' ' CG ' ' A' ' 112' ' ' GLN . 34.2 mt -58.21 171.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 57.6 t30 -138.03 120.31 10.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.73 157.62 91.79 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.332 -0.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.78 6.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -63.47 178.44 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -119.87 127.42 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.98 154.51 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -148.51 152.46 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 47.0 m -76.08 138.83 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.54 -28.37 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -104.05 -55.17 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.468 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 7.3 ttp -58.99 -34.59 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.3 m -118.34 138.04 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 67' ' ' PHE . 8.5 t -83.18 -177.03 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 11' ' ' LEU . 38.4 m-85 -144.02 -177.05 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.1 t -134.03 142.76 47.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.46 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -34.05 -49.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -50.71 -46.07 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 6.2 mm-40 -65.02 -61.09 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 72' ' ' ILE . 1.4 mp -35.97 -64.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -46.69 -52.4 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.27 -26.83 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.36 -51.62 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.91 -49.8 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -52.78 -27.2 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.4 m80 -101.43 -75.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.77 162.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -63.66 -10.8 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -53.83 -64.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.7 m -93.16 -33.23 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -47.2 -68.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -41.3 -65.81 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -45.18 -50.1 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.76 -31.07 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.426 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -92.14 -14.27 29.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 88' ' ' LEU . 1.5 mt -109.67 25.24 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.37 -47.62 68.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.52 14.97 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.759 0.233 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.38 162.99 14.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.1 m-85 -115.19 42.97 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -130.36 -38.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.95 117.4 64.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.67 31.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -76.82 -57.73 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.08 -41.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -58.74 -48.63 80.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -57.92 -53.46 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -56.96 -45.59 82.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.38 -37.01 74.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.6 mt-30 -61.71 -43.19 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.02 -12.62 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.49 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 13.8 ttmt -98.23 -29.09 13.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.49 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 6.9 m-85 -118.08 -56.15 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 112' ' ' GLN . 11.0 mt-10 -58.36 -35.0 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -111.5 -19.89 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.497 ' HD3' ' CG ' ' A' ' 121' ' ' TYR . 31.9 mttt 48.25 49.11 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.12 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -87.01 45.58 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.497 ' CG ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t80 -89.75 106.63 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.61 102.66 12.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 154.79 67.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -38.6 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -38.8 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' PRO . 16.6 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.05 -51.38 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -44.23 -59.51 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.74 -47.69 85.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CD2' HG22 ' A' ' 62' ' ' ILE . 19.5 tp -40.28 -56.7 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -48.81 -44.46 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -46.1 -46.07 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.472 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mpp? -62.84 -58.61 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -43.41 -33.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -63.93 -46.03 92.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' ND2' ' A' ' 20' ' ' ASN . 71.6 mt -37.81 153.8 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -65.04 -10.44 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.449 ' ND2' HD13 ' A' ' 17' ' ' LEU . 81.7 m-20 -116.97 34.02 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -87.96 -39.63 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HB2' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -123.89 -176.72 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.18 175.74 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.5 t80 -96.36 -24.61 16.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.73 -70.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.27 -5.9 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' C ' ' HB2' ' A' ' 22' ' ' LYS . 2.5 m-20 45.77 44.58 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.97 103.37 13.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -43.78 125.32 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 61.02 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.13 59.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 t -131.62 19.0 4.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' VAL . 29.4 m-85 -148.41 160.09 43.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.44 118.49 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' GLY . 36.7 t30 -72.58 101.15 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.3 mmt -56.1 -46.0 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 m -50.36 -47.98 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 3.5 t -105.99 17.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.46 37.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.6 p -108.07 177.34 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.05 114.47 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' TYR . 28.8 m -120.04 177.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.11 177.79 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -60.95 -34.85 75.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -64.73 -67.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' SER . 39.5 m -57.76 -52.56 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 66.7 p -35.55 -44.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.17 -39.39 83.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -66.97 -52.04 47.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.11 -37.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -62.61 -41.52 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.06 -31.67 48.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 33.9 mt -51.44 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -137.44 116.09 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.02 90.39 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.349 0.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.57 28.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.09 -177.04 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -118.35 130.21 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -134.13 145.17 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -148.57 121.67 8.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -45.57 157.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' A' ' 11' ' ' LEU . 88.0 mt -90.95 -45.09 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -92.22 -50.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.0 tpp -57.95 -37.33 73.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m -112.79 135.94 52.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 t -85.49 169.46 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -134.11 160.64 37.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 t -114.98 161.33 18.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -40.77 -44.92 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.85 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -52.88 -59.78 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.0 mm -38.18 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.78 -42.96 85.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -56.08 -46.37 79.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -57.4 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.472 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.3 mt-30 -54.68 -41.61 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -53.95 -27.65 32.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 32.4 m80 -110.12 -75.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.71 158.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -58.52 -18.34 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.97 -64.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -92.25 -37.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.43 -68.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.1 ttpt -40.64 -67.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -44.15 -50.68 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.06 -29.54 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -93.53 -15.39 25.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.502 ' CD2' ' NZ ' ' A' ' 114' ' ' LYS . 3.0 mt -111.27 26.06 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.4 -50.11 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.95 -34.89 16.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 6.9 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.19 162.01 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -115.2 33.06 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -117.56 -36.79 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.99 125.12 45.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -17.84 37.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.741 2.294 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.0 -49.16 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 6.2 mmmm -67.23 -44.25 79.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.08 -45.83 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -58.43 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.6 pt-20 -48.68 -41.94 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.5 t80 -66.25 -54.82 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 115' ' ' TYR . 13.0 mt -52.6 -46.37 66.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 116' ' ' GLU . 82.0 mt-30 -62.13 -44.01 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -62.88 -12.55 25.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 7.6 ttmm -103.03 -24.01 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 15.1 m-85 -116.4 -56.02 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -61.95 -51.46 68.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -91.81 -28.04 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 18.7 mttp 56.15 37.2 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.469 ' HD3' ' CE2' ' A' ' 120' ' ' TRP . 58.9 ttt85 -48.84 -71.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.469 ' CE2' ' HD3' ' A' ' 119' ' ' ARG . 1.8 m-90 -81.9 40.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 28.8 t80 -85.48 121.11 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -145.53 106.34 4.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 148.41 64.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' PRO . 14.9 mm-40 -34.53 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 34.1 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.58 -46.67 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -47.73 -48.1 29.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LEU . 5.1 mtt -53.94 -47.37 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER -37.6 -58.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -43.94 -44.55 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.35 -46.87 73.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.0 mpp? -60.37 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.5 p -46.83 -37.01 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -52.62 -49.34 53.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 42.4 mt -36.55 151.69 0.11 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.64 21.96 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 8.8 p-80 -83.41 -0.69 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -127.25 35.38 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -93.27 -29.76 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -128.12 172.18 11.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.87 174.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.74 -25.51 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CG ' ' CD2' ' A' ' 111' ' ' LEU . 4.8 m-20 -108.57 -68.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ASP . 17.8 p -75.94 5.57 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.7 m-20 35.22 49.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -91.81 119.44 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -57.44 133.53 55.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.43 55.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.84 13.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 10.1 t -116.01 25.12 10.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 32' ' ' THR . 19.1 m-85 -150.91 163.71 38.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.33 124.75 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' ND2' HG22 ' A' ' 38' ' ' VAL . 38.4 t-20 -74.04 108.75 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -66.82 -30.35 70.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -73.25 -63.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG22 ' ND2' ' A' ' 35' ' ' ASN . 46.8 t -70.65 -29.22 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.82 27.73 40.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 p -113.26 -179.69 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -108.07 117.93 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.7 m -120.35 -178.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.0 -178.33 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 45' ' ' SER . 8.8 t -67.26 -27.48 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 44' ' ' THR . 24.4 t -70.93 -67.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 60.6 m -55.53 -47.96 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -38.56 -44.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 -34.72 61.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.7 m -70.0 -53.9 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -58.97 -41.38 87.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -49.89 -36.21 26.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -57.91 173.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.5 t30 -137.41 121.46 12.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.8 155.74 93.23 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.384 0.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.95 4.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -63.51 173.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -113.45 128.84 56.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.95 139.88 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -139.09 137.23 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -57.93 152.07 16.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.36 -36.51 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 m -103.26 -47.77 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.57 -37.68 88.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 m -110.98 144.63 39.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -98.45 171.7 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -137.5 166.29 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -108.69 161.9 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 48.9 tp60 -45.3 -65.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.1 pt20 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 70.1 mt-10 -64.24 -54.34 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.424 HG23 ' CE ' ' A' ' 14' ' ' MET . 38.2 mm -45.19 -57.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 11.4 mm-40 -53.8 -60.53 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -41.76 -33.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.72 -44.07 34.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -66.0 -50.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -47.96 -30.25 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 29.7 m80 -100.8 -75.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 58.4 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.91 -17.02 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -49.95 -61.96 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.21 -37.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.89 -68.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.7 ttpp -39.8 -66.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -44.59 -51.06 9.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -52.06 -28.4 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 120' ' ' TRP . 96.9 m95 -94.03 -20.2 20.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 6.0 mt -102.33 20.55 16.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.93 -49.44 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.42 -32.4 14.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.524 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.758 0.232 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.62 160.8 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.05 -38.44 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -49.24 -35.2 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.9 135.82 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -42.15 -55.68 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -49.63 -44.16 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.9 -37.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -58.14 -61.77 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -48.3 -56.11 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 3.1 t80 -57.56 -39.52 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.457 HD23 ' CE2' ' A' ' 115' ' ' TYR . 13.6 mt -60.32 -42.88 96.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.8 mt-30 -58.08 -56.98 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.52 -13.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -91.12 -37.52 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.457 ' CE2' HD23 ' A' ' 111' ' ' LEU . 2.6 m-85 -117.97 -55.02 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.9 mm-40 -49.66 -44.39 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -105.76 -26.94 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.465 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 21.0 mttp 60.04 54.96 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -60.71 -69.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.1 m-90 -85.96 39.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.465 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 14.7 t80 -82.13 108.8 15.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.56 105.01 8.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.5 56.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.02 27.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.65 -35.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -41.61 -60.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -37.44 -52.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.465 ' CB ' HG23 ' A' ' 72' ' ' ILE . 88.2 mmm -52.16 -45.05 64.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -42.2 -48.68 4.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 43.8 mtm180 -56.69 -57.13 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -35.63 -47.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 mpp? -56.61 -56.91 15.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.3 p -51.66 -35.63 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -53.65 -51.27 49.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLY . 32.3 mt -35.55 151.34 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.94 9.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -73.43 -22.03 60.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -106.02 39.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -96.56 -27.39 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -123.6 175.91 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.48 176.02 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -97.48 -30.4 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.58 -70.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 13.3 p -69.42 -4.41 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 43.33 40.2 2.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 48.1 tt0 -80.09 163.31 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 50.7 ttp180 -94.53 111.2 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.27 65.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.6 11.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 68.3 p -117.33 23.36 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.163 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' A' ' 32' ' ' THR . 9.9 m-85 -149.7 166.5 29.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG12 ' CD2' ' A' ' 41' ' ' PHE . 15.8 m -152.16 122.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG21 ' A' ' 38' ' ' VAL . 48.3 t-20 -75.67 111.8 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mmm -71.95 -26.92 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.4 m -70.74 -53.03 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' ND2' ' A' ' 35' ' ' ASN . 40.3 t -85.06 -31.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.21 28.48 20.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 p -112.08 177.99 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 16.4 m-85 -111.36 114.81 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' TYR . 29.6 m -119.51 -175.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 p -114.08 176.01 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.463 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 1.7 m -59.84 -41.56 91.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.29 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' SER . 71.0 m -57.48 -54.81 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -38.13 -35.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.3 -39.69 51.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.5 m -67.52 -53.46 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.07 -45.09 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -49.95 -43.67 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.12 -30.94 25.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 53.7 mt -55.7 172.99 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -144.71 116.31 5.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.54 91.06 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.319 -0.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 120.71 7.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -59.53 173.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -110.46 115.14 29.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -124.03 142.63 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -141.71 128.16 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -54.08 158.61 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -88.96 -37.6 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.9 p -103.34 -50.53 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.0 mmm -59.94 -24.61 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -125.13 148.36 48.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -100.12 176.2 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 11' ' ' LEU . 91.3 m-85 -144.35 169.22 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLN . 8.0 t -126.17 147.18 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.157 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 2.4 tm0? -34.36 -53.87 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -44.15 -46.07 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' THR . 42.6 mt-10 -76.66 -41.89 43.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 10' ' ' MET . 44.4 mm -48.65 -58.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -55.36 -55.81 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.2 t80 -46.17 -34.46 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -25.65 41.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 36.0 mt-30 -80.61 -46.71 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.11 -15.3 5.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 28.6 m80 -111.53 -76.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.38 159.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.52 -13.61 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -52.66 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.4 m -91.57 -38.86 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.66 -68.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.1 tttt -40.33 -65.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLY . 29.9 mt-30 -43.77 -50.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.408 ' O ' HG21 ' A' ' 86' ' ' ILE . 75.2 mt -51.97 -36.78 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.435 ' C ' ' CD2' ' A' ' 88' ' ' LEU . 98.2 m95 -86.43 -12.87 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -115.24 14.78 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -55.34 -41.68 80.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 122' ' ' VAL . 11.8 mt -93.12 -24.94 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 120' ' ' TRP . 5.2 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.78 0.242 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.83 159.55 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 12.3 m-85 -111.79 -39.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -43.84 -26.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -114.29 120.43 38.31 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -19.72 35.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.79 -44.86 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -67.3 -48.87 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.07 -38.33 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -51.6 -56.3 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -54.05 -65.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 12.2 t80 -44.4 -47.19 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.8 -53.14 52.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' GLU . 94.5 mt-30 -50.71 -52.99 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 38.9 mm-40 -58.15 -12.65 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -93.07 -35.76 13.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.44 -56.04 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -52.22 -38.64 58.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 25.4 mmtt -109.89 -21.22 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 mttp 54.21 47.13 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -53.33 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 1.5 m-90 -89.02 47.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -90.89 109.4 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 54.5 t -128.75 107.68 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.44 63.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.7 -38.84 7.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.751 2.301 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 124' ' ' PRO . 6.8 pt-20 -36.03 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 125' ' ' GLU . 1.1 tm0? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 8' ' ' LEU . 4.5 mm? -70.92 -43.53 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -53.25 -38.82 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtm -74.13 -48.3 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -45.69 -62.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -41.48 -29.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.01 -40.67 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 29.7 mtm -65.14 -63.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 t -56.02 -15.66 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.62 -33.96 41.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 13.7 mt -41.08 152.54 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -22.38 31.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 2.1 p-80 -87.14 -1.97 58.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -120.14 -14.5 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -40.28 -33.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -117.77 158.17 25.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 2.5 t -55.17 173.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 22.4 t80 -95.0 -22.05 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.62 -66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 p -82.38 4.51 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 1.0 OUTLIER 44.17 26.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLY . 39.3 tt0 -62.65 108.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.73 85.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 140.94 66.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.9 26.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 3.8 t -126.65 18.56 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 32' ' ' THR . 20.2 m-85 -149.64 165.55 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 HG22 ' CZ ' ' A' ' 67' ' ' PHE . 3.3 m -140.9 137.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' THR . 15.7 t-20 -92.63 75.98 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -43.11 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' ASN . 61.4 m -68.57 -53.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.44 -46.78 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.29 5.61 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p -109.16 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 3.3 m-85 -109.89 100.41 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -103.2 -175.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.07 -178.04 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -51.34 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -48.81 -49.15 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.58 -30.97 66.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -49.61 -34.34 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.5 -30.39 30.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -75.69 -22.51 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.57 -40.34 14.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -77.08 -8.3 57.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.53 -20.55 54.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.12 178.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -138.76 115.34 8.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.16 92.83 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.05 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -81.9 -178.53 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -116.99 127.53 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.07 130.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -127.99 134.42 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.416 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 51.9 m -54.57 147.78 13.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -81.91 -33.35 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.1 p -103.13 -53.87 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 tpp -56.08 -42.72 77.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -108.26 138.88 43.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.6 p -92.32 -175.03 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 34' ' ' VAL . 92.3 m-85 -143.82 -176.97 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 2.8 t -131.38 148.84 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 12.0 tm0? -36.67 -56.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -45.98 -58.92 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' ILE . 16.8 mm-40 -59.78 -57.15 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mm -36.86 -55.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 22.8 mm-40 -56.08 -56.18 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 t80 -44.72 -30.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.6 mt -85.73 -29.65 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.4 mt-30 -75.63 -38.02 59.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -69.72 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.9 m80 -112.42 -75.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.7 158.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.7 m-20 -61.19 -13.1 15.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.72 -60.99 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.2 m -93.01 -32.65 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.26 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -39.02 -63.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.53 -50.14 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 86' ' ' ILE . 63.0 mt -52.08 -36.91 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.436 ' C ' HD22 ' A' ' 88' ' ' LEU . 95.1 m95 -85.9 -14.42 44.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -110.44 17.79 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.68 -44.86 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.31 -18.06 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.472 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.2 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.823 0.26 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -93.71 155.72 17.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 49.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -134.34 -35.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.24 133.1 20.47 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.667 0.746 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.38 16.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.7 -51.21 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -61.51 -49.01 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.1 -39.46 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -64.81 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -45.46 -33.39 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 2.9 t80 -79.2 -48.82 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.18 -37.83 70.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 80.3 mt-30 -60.4 -56.73 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.459 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 46.7 mm-40 -57.21 -13.19 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.415 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 35.0 tttt -94.24 -35.48 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.97 -55.58 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.3 mm-40 -54.9 -31.59 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER -114.49 -26.91 7.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 56.77 49.8 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -60.93 -70.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.472 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.4 m-90 -82.31 49.3 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -90.99 127.41 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -153.73 104.99 2.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.49 69.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.7 Cg_endo -69.74 -34.18 15.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 40.4 mt-10 -35.23 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 84.2 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -47.57 -46.86 28.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -48.4 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 mmm -56.97 -36.09 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -38.68 -65.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -41.59 -38.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.84 -46.61 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.41 ' CE ' HG22 ' A' ' 72' ' ' ILE . 2.1 mpp? -63.26 -57.57 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.2 p -51.14 -29.95 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.38 95.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD11 ' NE2' ' A' ' 19' ' ' HIS . 24.9 mt -46.25 153.07 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.09 2.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' HD11 ' A' ' 17' ' ' LEU . 14.7 p-80 -70.3 -1.1 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -124.25 34.32 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.49 -20.86 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -131.73 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.1 t -56.02 171.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -96.21 -26.21 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.25 -69.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.96 3.18 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.34 36.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.5 151.39 45.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.48 102.81 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.59 67.33 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.09 22.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.1 p -124.79 22.73 8.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' VAL . 13.3 m-85 -151.01 162.7 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.46 122.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' GLY . 17.5 t-20 -79.65 86.08 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.7 mmm -43.47 -47.64 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.1 m -52.32 -41.39 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG22 ' ND2' ' A' ' 35' ' ' ASN . 3.4 t -108.35 14.54 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 39.1 32.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -108.47 166.64 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -105.0 115.7 30.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 33' ' ' TYR . 13.2 m -122.28 -178.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.45 179.42 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 9.3 t -62.88 -40.18 96.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 t -58.52 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' SER . 69.1 m -55.29 -56.72 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 73.5 p -36.5 -36.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.58 75.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' CYS . 31.7 m -68.92 -50.56 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -41.21 -41.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -60.5 -42.75 96.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.38 -35.02 20.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 68.9 mt -51.96 168.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -137.95 117.74 10.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.31 89.87 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.363 -0.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.14 -175.99 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -123.48 126.25 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.458 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -132.3 135.37 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -131.47 119.83 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.432 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m -45.19 155.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.3 mt -90.48 -34.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -102.84 -46.72 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.418 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 2.8 mpp? -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -110.35 138.51 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -91.6 -178.73 5.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -138.62 179.94 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.1 t -132.61 153.12 51.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' THR . 32.8 tp60 -38.45 -54.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -49.85 -57.23 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ILE . 75.2 mt-10 -57.84 -56.65 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' GLU . 47.1 mm -36.91 -63.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -50.28 -56.63 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.0 -41.1 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.7 mt -69.4 -50.64 44.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -56.51 -53.97 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -45.94 -34.75 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.5 m80 -96.82 -75.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.93 160.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -61.68 -15.65 41.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -48.48 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.91 -37.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -43.39 -67.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 ttpt -41.05 -67.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -43.9 -49.4 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.07 -30.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.428 ' C ' HD22 ' A' ' 88' ' ' LEU . 98.6 m95 -92.34 -12.41 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 HD21 ' CE ' ' A' ' 114' ' ' LYS . 7.5 mt -108.59 20.65 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.35 -56.06 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.3 mt -81.48 -41.08 22.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.4 t80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.763 0.235 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' PHE . 1.1 m-20 -85.87 31.61 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' ASP . 1.6 m-85 35.9 44.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -127.7 -30.21 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.428 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 17.3 m-20 -114.11 129.61 24.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -26.79 27.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -68.74 -45.94 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.47 -44.81 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.18 -53.29 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -47.17 -52.35 15.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.86 -50.11 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.2 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.2 -35.21 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 116' ' ' GLU . 27.7 mt-30 -68.21 -36.54 79.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -72.13 -12.05 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.469 ' CE ' HD21 ' A' ' 88' ' ' LEU . 9.1 tttp -97.13 -32.02 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.29 -47.37 2.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.26 -33.4 75.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -114.51 -25.36 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 121' ' ' TYR . 18.3 mtpt 55.62 45.02 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -55.22 -69.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -84.07 43.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.466 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 22.6 t80 -89.24 115.41 26.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.1 t -142.45 105.0 5.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.23 68.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.79 6.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -41.5 -32.91 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -46.55 -42.47 15.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -46.71 -51.63 15.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.6 mmm -53.27 -39.24 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.78 -48.69 5.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.37 -55.24 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.78 -42.03 24.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.465 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 31.7 mtm -63.64 -53.75 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -51.6 -31.39 24.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.01 95.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 19.3 mt -38.7 145.71 0.34 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 4.9 p-80 -73.23 1.43 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' LYS . 58.6 m-20 -117.25 -26.44 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -40.71 -27.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.5 mtmp? -123.75 171.65 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' GLN . 1.8 t -73.01 -179.9 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -96.28 -38.18 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.26 -69.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 18.6 p -73.56 2.0 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 42.89 31.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' CYS . 3.2 tp-100 -69.93 144.09 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -84.71 113.65 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.08 66.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.6 35.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 65.2 p -124.97 18.33 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' N ' HD12 ' A' ' 62' ' ' ILE . 19.1 m-85 -146.35 168.32 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -144.38 131.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' ND2' HG23 ' A' ' 38' ' ' VAL . 21.3 t30 -84.01 83.0 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mmm -57.29 -17.76 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 57' ' ' HIS . 1.7 t -77.99 -17.81 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.47 HG23 ' ND2' ' A' ' 35' ' ' ASN . 69.4 t -126.02 -55.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.73 18.3 2.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -106.76 176.6 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.02 112.47 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.07 177.32 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.97 176.67 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -57.31 -32.77 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -69.64 -67.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.57 -41.74 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.3 p -47.88 -33.74 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' HA2' ' NH2' ' A' ' 51' ' ' ARG . . . -85.79 -29.25 26.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 -46.85 46.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.82 -29.41 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' HA2' ' A' ' 48' ' ' GLY . 27.1 mtm105 -67.97 -44.73 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.61 -33.8 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.45 170.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -141.33 117.37 7.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 160.46 87.92 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.366 -0.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.34 62.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 37' ' ' THR . 11.7 m170 -84.09 -174.87 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.95 119.62 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.26 136.94 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -138.1 126.75 23.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 2.8 p -43.13 154.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 33' ' ' TYR . 64.9 mt -92.39 -47.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 m -94.28 -33.73 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.473 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.8 ttt -81.46 16.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.6 m -160.66 139.82 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -95.12 148.86 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -121.73 163.79 18.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' GLN . 9.3 t -117.79 157.18 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.461 ' NE2' ' HG3' ' A' ' 73' ' ' GLU . 7.1 tp60 -34.59 -53.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.48 -63.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.04 -43.64 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mm -54.45 -65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 33.6 mt-10 -49.59 -35.31 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t80 -66.34 -32.5 73.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.75 -27.43 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 82.6 mt-30 -78.96 -39.32 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -67.15 -21.61 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 24.9 m80 -105.08 -75.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.15 167.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.82 -7.85 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.45 -61.01 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 83' ' ' CYS . 21.1 m -93.11 -45.25 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.412 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 6.6 m -37.22 -68.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.94 -64.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -45.05 -48.03 11.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.7 -28.94 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.426 ' C ' HD22 ' A' ' 88' ' ' LEU . 98.3 m95 -93.44 -14.78 26.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.1 mt -109.35 14.32 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.24 -53.6 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.1 mt -85.17 -38.68 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.806 0.252 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.61 176.73 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -127.56 -31.17 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -26.54 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.07 123.03 38.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.825 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.63 12.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.632 2.222 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -52.93 -44.97 67.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -65.94 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.78 -36.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -56.57 -59.3 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -50.72 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 4.4 t80 -47.12 -43.7 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -58.26 -38.59 77.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 68.2 mt-30 -59.49 -56.17 25.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.36 -12.81 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -95.87 -33.55 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -117.54 -55.92 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.3 mt-10 -54.55 -42.25 70.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -105.96 -22.22 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.8 mttt 51.73 47.84 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -53.99 -67.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -87.05 54.26 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -95.98 102.38 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.58 101.42 24.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 0.0 112.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -43.84 -32.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t -148.24 143.94 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -146.37 157.52 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.74 -48.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -174.79 126.74 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 0.0 110.797 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -86.32 130.72 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.67 -53.95 3.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.25 -40.27 11.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -52.76 -38.97 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -76.5 -28.9 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' CD2' HG21 ' A' ' 62' ' ' ILE . 2.8 tt -67.98 -59.81 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -46.34 -22.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.12 -34.26 32.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 41.8 mtm -68.02 -60.98 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -62.4 -11.39 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.68 -34.82 27.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 18.4 mt -42.09 153.64 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -17.6 37.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.228 . . . . 0.0 112.312 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 2.8 p-80 -94.18 5.5 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -125.68 -12.35 6.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -45.38 -31.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -115.41 160.95 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.32 -179.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -96.05 -26.9 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 -70.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.55 -4.08 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 48.53 31.02 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.62 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 29' ' ' ARG . 3.6 ptp85 -70.99 89.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.11 66.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 136.66 33.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.526 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 3.5 t -127.18 18.65 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 32' ' ' THR . 19.9 m-85 -149.97 161.14 42.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 m -142.14 131.12 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 38' ' ' VAL . 35.2 t-20 -84.4 118.63 24.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -74.05 -23.95 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -80.34 -61.31 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' ND2' ' A' ' 35' ' ' ASN . 7.5 t -74.7 -26.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.79 34.85 37.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 p -116.03 -179.35 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 4.6 m-85 -114.98 103.82 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' TYR . 29.9 m -105.59 -175.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -116.38 179.87 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -60.78 -39.14 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.96 -59.04 5.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' SER . 79.6 m -62.32 -51.18 68.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' CYS . 79.2 p -37.81 -45.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.56 -37.43 68.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 17.8 m -63.7 -56.34 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -40.39 -48.26 2.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 9.0 mtp-105 -50.72 -45.19 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.13 -33.24 22.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 42.7 mt -61.17 172.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.9 t30 -141.53 122.13 8.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.9 Cg_endo -69.71 153.83 92.95 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.309 -0.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.26 4.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -60.15 -177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -120.51 115.66 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.27 146.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -145.11 127.86 16.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -52.42 158.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.436 HG21 ' CD2' ' A' ' 11' ' ' LEU . 60.2 mt -90.64 -38.8 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.2 p -103.89 -30.98 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.407 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 4.6 tmm? -78.36 -20.61 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -132.19 153.16 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -99.07 176.95 5.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -149.7 161.52 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.88 168.14 9.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -52.05 -61.42 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -41.52 -32.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -82.63 -54.58 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.0 mm -47.03 -58.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -52.15 -42.62 63.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.406 ' CE2' ' HE3' ' A' ' 36' ' ' MET . 7.0 t80 -59.79 -41.35 90.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.79 -33.48 60.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.468 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 48.7 mt-30 -70.03 -42.08 73.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -69.13 -15.17 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.6 m80 -106.16 -75.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.58 162.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -66.58 -17.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.47 -67.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' CYS . 33.1 m -86.81 -45.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' VAL . 8.4 m -38.32 -67.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -43.01 -64.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.94 -45.35 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.74 -29.73 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 120' ' ' TRP . 99.6 m95 -91.99 -14.89 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -110.63 24.36 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.64 -51.99 21.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.514 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.67 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -39.4 133.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 13.0 m-20 -147.73 120.06 8.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ASP . 6.8 p-10 -35.17 -37.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -80.66 -48.19 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 p -54.6 -44.16 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 m -149.01 173.71 13.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.85 176.01 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.452 ' CG2' ' HD2' ' A' ' 99' ' ' PRO . 14.2 mm -102.73 137.06 19.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -167.11 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.18 158.52 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -112.24 43.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -127.66 -37.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.55 135.0 19.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.59 9.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.4 -41.26 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -51.43 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 67.0 t -62.93 -32.13 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -71.77 -59.6 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.78 -33.64 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.4 t80 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.15 -35.25 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 116' ' ' GLU . 98.1 mt-30 -62.55 -52.03 65.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.459 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 9.1 mt-10 -57.31 -12.67 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.408 ' NZ ' HD22 ' A' ' 88' ' ' LEU . 6.4 tttp -96.46 -32.0 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -116.46 -56.06 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -57.18 -41.75 79.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 19.0 mmtp -103.79 -27.58 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.553 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 35.9 mttp 54.64 50.07 16.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -61.69 -67.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.5 m-90 -84.9 40.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.553 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 10.3 t80 -89.03 104.73 17.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.7 t -133.67 98.71 14.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 156.08 64.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -38.73 7.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -39.88 -38.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -99.89 -44.57 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.29 -52.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -86.49 165.67 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 64.5 p -93.36 154.29 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -157.36 -171.43 23.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -9.88 27.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -133.49 105.75 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 m -103.99 85.16 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.52 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -97.73 -50.55 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 50.66 39.88 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 60.28 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -86.24 101.52 13.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -149.39 118.65 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.9 -58.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.1 mp -60.67 -46.01 91.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.99 -34.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtp -69.26 -39.31 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -51.21 -51.33 54.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.49 -47.35 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.56 -34.69 73.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 mtm -68.49 -52.97 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.454 HG23 ' CD1' ' A' ' 11' ' ' LEU . 68.2 p -55.95 -26.66 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -34.52 63.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.444 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 76.9 mt -46.86 151.28 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.01 19.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 81' ' ' GLU . 29.3 p-80 -84.2 4.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -131.1 29.95 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -90.45 -32.91 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -121.27 179.26 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.37 174.57 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 24.7 t80 -104.83 -14.66 15.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -111.33 -68.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.4 p -84.91 4.79 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.51 29.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 29' ' ' ARG . 59.3 tt0 -62.88 159.33 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.1 tmt_? -96.41 110.34 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.15 68.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 125.04 11.64 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -119.13 19.71 12.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 14.8 m-85 -146.3 158.13 43.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 m -142.69 138.89 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -88.94 112.05 22.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mmt -68.57 -30.04 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -72.72 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -74.0 -31.28 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.75 31.51 26.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 p -115.96 -179.18 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -110.61 119.69 39.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -121.13 -179.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.8 p -109.89 176.06 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 4.9 m -61.86 -47.12 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -54.13 -37.35 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -78.57 -41.63 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.0 p -42.7 -29.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.44 -41.54 7.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -65.06 -51.07 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.0 mt -44.5 -47.44 10.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' CZ ' ' CB ' ' A' ' 51' ' ' ARG . 10.9 mtm105 -55.07 -46.35 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.02 -30.89 5.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 64.5 mt -61.1 167.37 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.954 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -137.88 120.19 10.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.79 158.42 91.12 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.352 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 120.02 6.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -61.27 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -126.03 122.11 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.42 152.8 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -150.42 119.1 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.4 m -44.71 151.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.44 -38.77 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -101.27 -49.75 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -59.16 -34.07 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 66' ' ' THR . 29.6 m -116.32 142.11 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' HG21 ' A' ' 65' ' ' THR . 14.7 t -88.31 170.42 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.91 170.73 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.5 t -125.04 158.22 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -44.39 -43.8 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -57.27 -63.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -50.29 -50.44 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mm -48.97 -59.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.17 -59.39 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -41.45 -56.48 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.5 mt -53.66 -56.23 19.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -49.81 -45.61 50.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -52.37 -30.87 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -109.35 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 57.28 159.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -55.37 -20.82 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 59.9 tt0 -47.57 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.48 -36.74 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.82 -68.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -41.67 -65.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.12 -49.17 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.8 mt -54.81 -28.57 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.422 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -94.63 -13.34 25.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.4 mt -111.1 17.14 20.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.91 -54.23 3.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' PHE . 13.8 mt -83.89 -42.29 16.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 4.5 t80 -37.12 138.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -152.97 108.28 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -41.82 -31.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -55.66 -53.23 59.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 p -123.04 74.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.7 p -168.76 179.32 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.29 135.49 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.7 mm -101.5 135.27 19.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -177.5 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.69 156.38 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.86 47.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -133.7 -43.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -100.1 125.46 39.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -30.04 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -57.62 -41.39 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -74.23 -62.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -44.75 -41.9 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -58.46 -50.82 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.03 -61.07 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.2 t80 -48.77 -47.42 41.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.46 -42.16 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.9 mt-30 -61.58 -37.0 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.39 -17.5 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.446 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.22 -23.81 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -104.81 -54.82 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.7 mm-40 -72.36 -58.85 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.1 -25.07 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.502 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 44.8 mttt 53.41 25.86 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 14.4 ttt180 -35.7 -68.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -90.44 51.38 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.502 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 16.8 t80 -95.33 96.77 9.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 123' ' ' PRO . 55.8 t -120.99 98.83 47.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.747 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 122' ' ' VAL . 53.1 Cg_endo -69.86 152.15 68.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -30.7 22.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -45.04 -30.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.2 -41.13 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.61 -59.93 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -48.94 -54.39 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t 55.74 43.06 28.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.69 -160.93 9.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.68 67.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.8 t -110.09 107.83 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.5 m -66.91 -59.88 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.483 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -149.7 117.32 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.2 t -66.81 151.38 47.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.01 -56.61 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -130.19 103.45 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -5.59 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -18.75 3.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.2 mm? -80.3 -37.29 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -57.72 -36.46 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mmm -78.5 -41.06 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.3 tp -45.73 -59.02 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -45.05 -51.61 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.49 -45.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.433 ' CE ' HG22 ' A' ' 72' ' ' ILE . 13.1 mtm -58.61 -55.94 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.8 p -55.53 -28.49 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -34.69 67.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.0 mt -45.33 153.68 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -43.43 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -70.6 -12.0 61.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -116.84 37.43 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -92.39 -33.53 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -126.77 174.78 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.99 172.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.447 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 79.8 t80 -97.35 -4.15 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -132.37 -64.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 14.5 p -77.03 2.13 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.6 t70 34.95 51.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -104.86 103.17 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -38.66 145.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 91.08 47.98 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 54.5 Cg_endo -69.74 114.57 3.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 48.6 p -111.2 28.56 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' THR . 13.5 m-85 -150.72 151.79 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 41' ' ' PHE . 19.3 m -139.76 129.17 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 38' ' ' VAL . 50.4 t-20 -81.25 114.9 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.6 mmm -73.03 -32.31 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -65.91 -55.4 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 HG22 ' ND2' ' A' ' 35' ' ' ASN . 4.9 t -85.44 -30.72 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 85.33 35.83 11.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -116.51 178.19 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CD2' HG11 ' A' ' 34' ' ' VAL . 18.6 m-85 -110.85 114.23 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' TYR . 27.1 m -120.09 -176.23 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 45' ' ' SER . 12.0 t -69.05 -27.13 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 44' ' ' THR . 15.0 t -68.83 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' SER . 56.4 m -56.97 -44.33 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.7 p -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.4 -31.95 60.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.7 m -70.34 -48.84 54.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.12 -46.97 12.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -49.27 -41.07 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.75 -38.02 28.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.05 171.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.6 t30 -139.72 121.01 9.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.2 Cg_endo -69.82 155.81 93.24 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 -1.819 . . . . 0.0 112.315 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.33 9.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -62.16 -178.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -122.76 122.92 39.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.1 m -124.64 153.96 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -152.68 125.64 8.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 64.6 m -53.55 147.9 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.5 mt -84.68 -43.15 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -91.32 -54.14 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.451 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.3 tpt -55.74 -38.8 70.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -116.11 141.75 47.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.06 177.83 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.6 t -129.59 152.67 48.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 31.4 tp60 -36.28 -46.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -51.34 -61.52 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.44 -51.9 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.433 HG22 ' CE ' ' A' ' 14' ' ' MET . 24.1 mm -41.82 -61.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' GLN . 12.5 mm-40 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -39.76 -40.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.9 -34.01 64.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' GLU . 32.9 mt-30 -70.28 -41.68 73.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -62.78 -13.84 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.8 m80 -117.09 -75.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.61 159.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.9 -14.14 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -52.98 -64.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.21 -37.0 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -45.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 36.3 tttt -42.75 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.2 -48.02 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.15 -30.08 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.42 ' C ' HD22 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -10.37 36.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.4 mt -116.17 20.98 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.76 -51.63 12.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.4 mt -85.99 -39.91 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -38.58 142.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -149.89 106.55 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -42.05 -31.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -57.15 11.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -85.25 -71.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -69.07 161.09 29.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.85 130.51 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.045 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.5 mm -52.35 133.49 42.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.8 -174.52 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -85.83 163.57 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.67 38.08 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -127.12 -28.6 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.65 125.77 30.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.403 ' HG2' ' NE2' ' A' ' 105' ' ' GLN . 53.7 Cg_endo -69.82 -27.01 26.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.403 ' NE2' ' HG2' ' A' ' 104' ' ' PRO . 26.2 mp0 -61.77 -48.15 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -67.99 -59.12 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.2 t -46.45 -42.69 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -57.86 -61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.39 -60.52 2.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 1.4 t80 -51.65 -47.92 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.83 -50.17 71.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 28.9 mt-30 -56.84 -49.67 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.21 -13.14 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -113.3 -14.86 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -117.95 -54.51 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 18.4 mt-10 -71.91 -59.01 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -74.62 -26.45 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.409 ' HE2' ' CG ' ' A' ' 121' ' ' TYR . 26.2 mtpt 57.65 40.72 26.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.9 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -85.14 51.58 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.409 ' CG ' ' HE2' ' A' ' 118' ' ' LYS . 24.9 t80 -97.34 127.92 43.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.5 t -151.73 105.2 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.69 65.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.93 11.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.74 -35.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -98.58 -48.54 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.46 -57.12 9.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -73.94 92.67 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -81.36 128.81 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.42 142.94 7.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.33 29.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.3 m -117.48 109.46 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 85.7 p -143.23 131.8 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -93.44 164.65 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -57.95 -58.28 9.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.18 -143.19 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 69.48 36.45 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -107.04 118.82 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.92 -48.95 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.51 -49.59 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -46.19 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 49.6 mmm -60.5 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -40.51 -61.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -42.75 -49.31 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.85 -42.81 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.3 mtm -59.78 -49.54 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -62.12 -14.06 33.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.43 -23.9 49.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.7 mt -47.62 151.93 1.37 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -17.59 37.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -98.08 2.14 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -128.29 12.31 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -66.47 -28.16 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.75 169.31 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -56.67 173.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 9.1 t80 -96.72 -22.14 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -68.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.79 -8.55 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.1 40.71 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -90.62 135.51 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.52 146.51 51.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 56.2 3.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 119.59 6.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 71.4 p -111.6 27.89 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 44' ' ' THR . 13.3 m-85 -150.64 156.36 41.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.14 134.92 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' ND2' HG21 ' A' ' 38' ' ' VAL . 23.5 t-20 -84.79 115.33 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmt -73.35 -29.07 62.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -75.42 -57.68 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' ND2' ' A' ' 35' ' ' ASN . 12.9 t -77.49 -30.17 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 34.62 23.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 p -118.55 179.17 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -108.52 118.26 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.69 -176.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.63 179.86 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.489 HG21 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.95 -35.65 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -62.83 -67.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.6 m -56.82 -54.32 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.0 p -37.75 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -78.38 -38.8 24.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' CYS . 5.3 t -70.71 -48.59 53.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.919 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -40.15 -38.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 -61.82 -48.98 78.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.07 -31.03 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 15.4 mt -62.9 174.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 17.2 t30 -143.9 121.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.74 156.98 92.47 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -61.69 -175.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -125.98 113.9 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.29 139.12 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -138.71 121.03 15.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 12.0 m -48.64 154.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' CD1' ' A' ' 11' ' ' LEU . 74.5 mt -90.11 -32.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -100.98 -51.53 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.426 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 19.6 mtm -59.06 -38.04 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 m -110.74 144.15 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -88.92 -177.4 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CD2' HD21 ' A' ' 11' ' ' LEU . 32.2 m-85 -147.62 -176.42 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.408 ' CG2' ' HG2' ' A' ' 71' ' ' GLU . 6.3 t -140.34 162.25 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -48.83 -46.09 41.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -55.52 -62.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG2' ' CG2' ' A' ' 68' ' ' THR . 69.7 mm-40 -49.22 -53.15 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.44 ' CD1' HD22 ' A' ' 11' ' ' LEU . 43.7 mm -49.23 -42.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.97 -51.91 65.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 3.4 t80 -53.75 -48.75 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.2 -47.54 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.35 -47.7 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -52.48 -32.16 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 79' ' ' GLY . 32.4 m80 -99.99 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.82 162.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -63.87 -12.91 40.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.09 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.98 -36.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -45.45 -67.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -41.52 -65.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLY . 30.1 mt-30 -44.9 -52.12 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -52.46 -27.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.421 ' C ' HD22 ' A' ' 88' ' ' LEU . 98.2 m95 -95.85 -14.07 23.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.1 mt -112.27 3.13 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -37.73 -32.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.87 -12.67 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.486 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 33.2 t80 -87.97 125.45 34.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.17 151.08 39.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.69 -38.04 76.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -69.74 -53.37 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.6 m -62.63 -64.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.412 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.2 m -84.69 161.69 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -119.46 126.84 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.39 127.37 91.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.693 0.758 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.5 Cg_endo -69.73 -175.97 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.68 167.85 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -119.92 -37.37 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -49.57 -30.77 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -110.32 119.08 47.84 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.574 0.702 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -36.11 11.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -52.19 -48.33 65.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.8 -60.75 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -45.06 -43.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -48.45 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -43.82 -45.63 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.99 -39.89 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 116' ' ' GLU . 81.4 mt-30 -59.4 -52.14 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -54.48 -14.39 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 115' ' ' TYR . 13.7 ttmt -100.87 -33.85 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 17.7 m-85 -112.47 -55.94 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.5 tm-20 -55.48 -56.22 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -26.58 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.52 ' HD2' ' CD2' ' A' ' 121' ' ' TYR . 3.5 mtmp? 56.57 54.13 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -64.48 -67.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.486 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.9 m-90 -86.83 49.75 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 118' ' ' LYS . 12.2 t80 -94.36 92.78 7.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.6 t -117.87 101.15 52.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.83 51.94 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.94 -26.36 62.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -128.16 34.02 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -120.6 176.89 5.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -41.74 148.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 t -93.39 123.17 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -136.82 89.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.06 6.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 t -101.17 -46.78 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.0 p -80.36 -1.25 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.515 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -159.8 144.22 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -72.13 85.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.13 85.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -93.91 42.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -93.1 145.03 24.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.79 -45.95 2.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.9 mm? -68.93 -51.37 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.59 -44.79 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 mmm -68.29 -38.95 82.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -45.57 -42.96 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -61.76 -48.65 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -42.38 -39.9 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.46 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 39.1 mtm -65.83 -59.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -47.22 -40.22 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.15 -32.35 56.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.537 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' NE2' ' A' ' 19' ' ' HIS . 89.8 mt -50.07 153.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.74 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 81' ' ' GLU . 4.8 p-80 -67.74 -3.62 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.537 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 15.5 m-80 -108.67 -28.14 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 26.7 mmm180 -36.3 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASN . 12.5 pttp -132.27 168.58 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.86 -179.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 2.3 t80 -100.23 -23.23 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -113.3 -69.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 16.3 p -71.69 -1.32 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 44.52 34.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.66 100.84 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.9 mtt-85 -45.92 105.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.89 68.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.4 50.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.284 . . . . 0.0 112.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -128.76 12.92 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -147.42 167.93 23.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG11 ' CG ' ' A' ' 41' ' ' PHE . 18.4 m -149.78 125.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.456 ' ND2' HG23 ' A' ' 38' ' ' VAL . 40.8 t-20 -78.02 123.0 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' CE2' ' A' ' 74' ' ' PHE . 9.1 mmt -80.59 -29.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -72.3 -46.01 57.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.456 HG23 ' ND2' ' A' ' 35' ' ' ASN . 23.4 t -90.99 -23.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 30.85 56.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 p -114.93 178.48 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 10.5 m-85 -109.61 113.66 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -117.1 -176.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -116.68 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 t -54.94 -37.76 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 t -66.41 -67.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.6 m -54.96 -23.67 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -69.85 -53.9 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.5 64.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.3 t -83.11 -42.6 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.92 -37.99 54.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -67.5 -43.08 81.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.84 -35.61 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 49.6 mt -52.86 166.15 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -132.14 119.17 16.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.9 91.5 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.376 -0.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 118.82 5.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.72 163.93 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.67 141.97 27.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.05 125.04 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -132.54 140.38 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 45.9 m -53.09 168.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -88.82 -53.91 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -102.97 -37.15 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.451 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -61.42 -15.96 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.9 m -118.54 153.12 34.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -105.14 120.1 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.55 -179.47 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.7 t -139.58 151.43 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' THR . 15.4 tm0? -34.22 -39.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -54.61 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 52.4 mm-40 -55.76 -55.6 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.2 mm -38.56 -46.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.33 -46.31 77.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 36' ' ' MET . 39.1 t80 -56.73 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.1 mt -57.1 -59.42 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 72.1 mt-30 -52.07 -53.09 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -44.6 -22.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.0 -75.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 56.09 161.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -55.46 -17.28 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 23.8 tt0 -48.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.98 -32.93 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.94 -68.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 18.9 ttpt -41.37 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -44.45 -50.0 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -52.83 -29.78 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.41 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.5 m95 -92.65 -19.62 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 88' ' ' LEU . 5.5 mt -101.88 20.93 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.67 -47.93 17.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.34 -25.65 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.85 111.63 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.73 136.4 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -38.85 -45.62 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' SER . 3.3 mmp_? -75.13 -53.1 9.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' ARG . 54.1 m -38.25 -70.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 t -114.99 -175.83 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -134.82 131.86 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.6 mm -57.45 127.96 78.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 111.177 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.563 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.3 Cg_endo -69.74 172.62 12.29 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.96 158.57 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 8.0 m-85 -113.91 40.13 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -125.73 -38.1 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.26 127.86 40.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.41 25.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.14 -52.17 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.03 -54.63 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.22 -36.96 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.6 -53.16 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -59.95 -47.32 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.7 t80 -61.6 -44.91 96.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.6 mt -58.8 -45.16 90.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 116' ' ' GLU . 59.6 mt-30 -59.73 -52.6 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 78.9 mm-40 -57.64 -13.0 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -92.69 -36.71 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.36 -55.08 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.3 mt-10 -52.66 -37.19 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 27.2 mmtp -111.1 -23.49 10.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.8 mttm 54.83 51.71 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -58.46 -70.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.3 m-90 -85.58 38.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.76 110.32 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.27 105.0 9.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.68 0.752 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 151.06 69.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 124' ' ' PRO . 78.0 mm-40 -34.63 -32.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 124' ' ' PRO . 21.0 tt0 -100.9 -43.46 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.42 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -92.77 81.19 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -60.02 79.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -118.54 151.88 17.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m -132.17 132.24 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 m -94.38 93.08 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.47 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -72.8 149.5 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t 57.48 42.19 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.51 -158.24 13.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -94.75 42.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.9 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -105.92 148.05 28.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.77 -48.74 4.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.26 -52.73 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -43.21 -49.03 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' LEU . 8.9 mtt -71.94 -45.93 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -35.16 -47.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' ASP . 19.5 ttp180 -61.07 -48.8 80.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' MET . 22.2 t70 -36.63 -41.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -66.73 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -47.06 -40.93 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.68 -38.69 53.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 88.9 mt -48.93 151.46 2.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.44 9.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 3.0 p-80 -69.91 -14.09 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 8.1 m-80 -93.28 -37.68 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASN . 30.4 mmm180 -37.86 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ASN . 22.4 mmtm -117.61 156.85 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 -179.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -99.17 -39.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.64 -70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 14.3 p -72.51 -3.02 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 45.64 36.55 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 tp-100 -80.04 130.94 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -69.86 111.71 5.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.94 65.78 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.98 31.71 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 9.8 p -122.98 20.38 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 15.8 m-85 -150.64 164.94 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.0 133.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' ND2' HG21 ' A' ' 38' ' ' VAL . 34.5 t-20 -82.25 113.82 20.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.464 ' CE ' HD11 ' A' ' 75' ' ' LEU . 5.2 mmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.8 m -81.62 -51.43 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG21 ' ND2' ' A' ' 35' ' ' ASN . 24.7 t -87.04 -30.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.3 28.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -107.87 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 13.0 m-85 -109.45 103.45 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -106.94 176.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.75 175.73 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 14.1 t -55.41 -39.79 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 44' ' ' THR . 73.8 m -63.03 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 72.6 m -51.01 -52.83 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.0 p -40.75 -31.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.4 -37.58 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.7 t -68.63 -49.78 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -44.57 -46.52 10.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -52.7 -43.09 65.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.83 -34.42 29.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 32.9 mt -55.07 171.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.353 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 5.6 t30 -144.62 119.14 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.76 154.95 93.45 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.14 14.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -68.25 -179.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 113.98 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.69 143.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.45 126.12 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 58.5 m -51.06 154.08 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 33' ' ' TYR . 87.2 mt -86.45 -39.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -97.79 -49.13 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.439 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 21.1 ttp -61.8 -40.47 95.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -111.5 143.25 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.5 p -98.3 -176.39 3.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -148.55 172.5 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -118.9 162.35 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -46.32 -59.72 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.7 pt20 -45.44 -32.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 71.8 mt-10 -81.1 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.45 HG21 ' CE ' ' A' ' 14' ' ' MET . 25.2 mm -36.37 -66.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -44.3 -59.21 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t80 -42.4 -48.4 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD11 ' CE ' ' A' ' 36' ' ' MET . 8.7 mt -67.68 -34.53 77.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.39 -52.6 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.575 ' HE3' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -56.48 -13.03 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.575 ' CE1' ' HE3' ' A' ' 77' ' ' LYS . 26.2 m80 -102.78 -75.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.86 161.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -70.6 -6.95 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -58.7 -61.1 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -92.52 -35.93 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.0 m -46.85 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -42.18 -65.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.07 -48.98 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mt -54.01 -32.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.424 ' C ' HD22 ' A' ' 88' ' ' LEU . 97.7 m95 -90.39 -14.97 31.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.2 mt -110.12 20.25 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.75 17.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.86 -35.39 12.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.52 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.5 t80 -45.94 131.97 9.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -138.57 152.63 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.7 48.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -130.95 -32.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.6 p -117.82 -44.03 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 m -77.78 166.36 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.26 146.36 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.403 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 1.5 mp -86.57 129.28 53.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -176.67 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.296 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.55 149.92 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.5 40.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -124.64 -13.45 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.98 126.5 23.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.66 31.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -68.82 -44.27 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -72.2 -53.73 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 64.2 t -51.56 -43.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -55.36 -52.32 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.28 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.9 t80 -46.69 -45.35 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.62 -40.6 88.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 48.1 mt-30 -58.74 -37.25 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.77 -16.8 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.9 -22.75 13.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -106.85 -54.84 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.5 mt-10 -71.88 -55.5 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -81.79 -27.8 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 65.9 mttt 49.57 38.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.8 ptm180 -55.75 -49.82 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 3.2 m-90 -91.16 26.78 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.417 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 24.7 t80 -80.52 123.02 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.23 105.01 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 148.63 65.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.5 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.96 -26.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 124' ' ' PRO . 2.1 tp-100 -105.23 -37.83 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.91 155.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -88.29 42.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 t -66.8 -49.5 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 174.57 -84.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.95 20.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 t -147.01 136.62 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.0 t -97.22 -44.78 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.521 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -118.98 176.98 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -145.07 117.27 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.97 -44.3 14.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 8' ' ' LEU . 58.9 m -152.18 131.48 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -61.88 138.97 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.59 -56.23 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.8 mp -43.27 -46.5 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' LEU . 19.3 tttp -36.21 -39.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' LEU . 10.1 mtp -77.93 -41.44 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -37.7 -46.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -60.77 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -40.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.409 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 1.9 mpp? -72.01 -50.73 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.7 p -54.68 -16.09 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.56 8.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 84.7 mt -41.3 154.04 0.24 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.66 6.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 10.0 p-80 -72.87 -3.92 28.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -124.6 36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -93.6 -33.32 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -124.95 172.39 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.7 t -59.33 172.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -98.59 -22.52 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.15 -61.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.67 5.82 41.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 28.2 m-20 40.16 38.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.73 124.36 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -62.92 131.37 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 58.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.97 16.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 62.0 p -118.08 26.22 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.479 ' CE1' HG22 ' A' ' 44' ' ' THR . 16.9 m-85 -150.37 164.05 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -150.26 123.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.32 113.1 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mmt -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 m -73.57 -57.2 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -81.53 -28.54 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.65 31.55 29.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 p -111.83 -179.33 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.26 113.85 26.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m -121.18 -179.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -113.58 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 HG22 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.25 -53.56 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -55.46 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.9 m -68.92 -27.02 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -34.72 17.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 51' ' ' ARG . . . -83.32 -30.21 31.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -69.84 -41.34 75.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -65.73 -46.24 79.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' CD ' ' HA2' ' A' ' 48' ' ' GLY . 22.9 ptt180 -68.9 -14.75 63.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.47 -28.21 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.54 -176.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.9 t30 -144.46 119.92 6.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.5 Cg_endo -69.73 156.76 92.56 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.387 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.24 18.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -71.13 -176.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -122.21 112.39 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.51 136.32 52.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -135.82 125.11 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.8 m -49.21 154.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.43 -32.75 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 t -102.81 -50.59 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtt -60.99 -42.42 98.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -108.08 137.06 46.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.5 t -91.53 174.57 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -138.14 -175.8 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLN . 3.6 t -133.04 156.8 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' THR . 29.3 tp60 -35.83 -58.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -43.69 -67.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -46.74 -53.31 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.9 mm -42.98 -56.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.79 -47.2 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 5.2 t80 -51.35 -37.61 48.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.25 -63.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.409 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 36.5 mt-30 -48.03 -46.72 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -47.76 -33.97 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -104.93 -74.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 162.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -59.26 -14.62 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -50.96 -63.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.32 -39.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -41.51 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.3 tttm -39.78 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -44.45 -50.78 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -52.04 -29.14 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -94.58 -14.0 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD2' ' HE2' ' A' ' 114' ' ' LYS . 1.2 mt -114.03 18.41 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.96 -50.82 7.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.6 mt -84.52 -43.55 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.6 t80 -34.82 130.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.58 108.97 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.54 -38.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -40.14 -51.38 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -109.87 -62.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -54.76 162.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.57 151.24 38.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 1.2 mp -89.35 130.12 45.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.06 158.79 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.7 m-85 -111.31 -26.38 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.4 -25.25 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.22 115.14 40.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.3 11.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -88.05 -41.73 12.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -72.84 -30.19 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.0 -43.01 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.35 -57.24 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.7 pt-20 -49.66 -38.23 31.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -71.87 -45.72 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.15 -32.95 50.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.5 mt-30 -65.58 -41.43 92.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.16 -14.66 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.471 ' HE2' ' CD2' ' A' ' 88' ' ' LEU . 23.8 ttmt -106.72 -26.09 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.7 -53.39 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -71.18 -59.09 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -78.47 -22.66 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.538 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 61.2 mttt 52.07 28.15 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' LYS . 7.5 ttt85 -35.42 -66.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -95.8 56.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.538 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 11.8 t80 -97.76 99.31 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.32 99.91 36.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 157.82 59.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.733 2.288 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.79 -40.95 4.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.5 pt-20 -37.3 -32.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 124' ' ' PRO . 71.1 mt-30 -98.41 -43.54 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.04 89.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -146.23 170.97 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -49.74 111.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.06 176.8 45.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 178.27 4.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -56.17 -46.67 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -96.11 152.52 18.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.453 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -110.75 157.99 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -128.12 99.21 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.96 -48.16 5.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -61.47 154.04 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -129.53 -43.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 -18.47 8.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.81 -33.62 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -40.94 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.5 mmt -74.74 -27.16 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.57 -40.1 96.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -63.85 -43.1 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.29 -37.53 16.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.7 mtm -71.83 -55.62 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.6 p -45.7 -29.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -67.03 -44.94 87.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 67.8 mt -37.54 144.06 0.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -30.04 23.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 5.4 p-80 -78.37 4.58 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' LYS . 37.4 m-20 -125.87 -24.28 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 5.2 mmm180 -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -122.12 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.25 177.27 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.571 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 22.4 t80 -106.83 -17.23 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -58.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 24.5 p -94.42 12.46 27.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 t70 40.16 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tp-100 -67.55 130.07 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 120.02 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.24 63.91 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.77 52.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -133.23 20.75 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 21.9 m-85 -150.82 163.92 37.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.66 126.24 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' ND2' HG23 ' A' ' 38' ' ' VAL . 32.5 t-20 -76.46 109.64 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -68.46 -27.45 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -75.44 -61.03 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 HG12 ' CZ2' ' A' ' 87' ' ' TRP . 17.0 t -75.52 -27.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 32.13 36.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 171.54 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -98.82 117.95 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 m -119.29 -176.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 p -119.87 179.61 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 11.2 t -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 t -71.55 -36.51 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.3 m -84.34 -34.1 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 p -50.45 -39.42 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 -35.08 37.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -66.95 -54.71 19.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -41.97 -48.79 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -54.06 -37.67 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.76 35.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.63 178.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 39.2 t30 -148.47 121.45 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.75 154.13 93.15 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.34 -0.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.66 9.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -67.48 167.34 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -101.11 114.85 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.17 148.09 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -150.62 146.79 26.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 9.7 p -64.48 170.47 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.5 mt -92.65 -51.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.9 m -100.54 -43.56 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.488 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -54.67 -14.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.462 ' CG2' ' CE1' ' A' ' 67' ' ' PHE . 1.3 t -133.02 142.18 48.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -99.52 130.99 45.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 65' ' ' THR . 81.6 m-85 -105.56 148.49 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -92.73 166.07 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -39.79 -67.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -44.44 -52.9 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -52.72 -45.23 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.68 -60.59 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.28 -54.63 10.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -44.85 -50.06 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.3 -62.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -47.14 -54.0 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -45.91 -28.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -106.29 -75.22 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.81 163.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.34 -18.57 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.63 -64.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.8 m -92.6 -39.64 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.3 m -41.79 -66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 10.9 ttmm -42.6 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -44.79 -45.75 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.46 -30.62 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.441 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -93.24 -8.77 41.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 87' ' ' TRP . 2.3 mt -113.36 11.51 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -34.38 -56.23 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.3 -46.61 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.91 36.12 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 39.3 44.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -112.54 -33.39 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -125.74 -61.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 t -82.3 153.32 25.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.19 158.92 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 37.6 mm -62.18 134.44 94.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.6 Cg_endo -69.75 -165.78 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.09 148.41 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 3.5 m-85 -98.8 -42.12 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -38.99 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' PHE . 45.2 m-20 -121.87 137.94 27.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -43.77 -49.65 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -56.37 -50.96 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.87 -33.11 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -69.97 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -40.98 -34.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.9 t80 -84.94 -46.04 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.493 HD21 ' CE2' ' A' ' 115' ' ' TYR . 13.4 mt -55.37 -26.71 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.3 mt-30 -72.05 -46.39 57.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -66.98 -11.95 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -106.5 -19.0 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.493 ' CE2' HD21 ' A' ' 111' ' ' LEU . 15.5 m-85 -117.44 -51.1 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.4 mm-40 -72.92 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.19 -28.35 42.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt 55.9 38.56 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -47.61 -66.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.62 57.02 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -103.57 122.83 45.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.3 t -148.69 105.12 3.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 147.97 63.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -31.52 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 124' ' ' PRO . 54.5 mm-40 -37.44 -28.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.495 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -104.03 -47.03 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.11 -58.25 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 129' ' ' SER . 0.1 OUTLIER -102.72 147.92 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 2.9 t -34.96 -52.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.99 81.14 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -15.28 37.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.0 m -154.57 171.21 19.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -75.72 153.92 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.091 -0.839 . . . . 0.0 112.502 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -105.79 168.17 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -88.41 123.9 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.74 3.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -134.76 172.1 13.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -51.25 -52.7 42.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.88 -50.21 59.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -43.3 -45.93 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' MET . 25.5 tptt -72.68 -47.97 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.9 mtp -35.94 -53.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' MET . 12.7 mt -36.39 -49.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -47.92 -44.43 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' MET . 8.8 t70 -56.72 -45.15 82.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.2 mtm -59.89 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -44.96 -38.17 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -55.66 -45.33 85.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 82.3 mt -37.91 150.1 0.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.39 4.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 5.3 p-80 -67.43 -4.31 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' LYS . 25.3 m-20 -114.08 -20.18 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -43.32 -23.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -138.16 154.86 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.57 179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.444 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 13.8 t80 -96.75 -36.68 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -98.02 -70.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.87 -0.79 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 46.11 29.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -64.75 119.68 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.55 87.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.37 71.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.88 48.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 2.8 t -133.47 17.41 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 32' ' ' THR . 24.3 m-85 -151.04 170.92 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' ' HG3' ' A' ' 60' ' ' LYS . 14.6 m -140.76 135.56 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 37' ' ' THR . 18.9 t-20 -92.35 63.19 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 3.5 mmt -34.23 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ASN . 23.9 m -56.6 -51.79 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 35' ' ' ASN . 45.5 t -93.21 -40.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.96 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -113.3 -178.95 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.26 119.3 39.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.1 m -118.35 175.76 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 p -112.62 -179.19 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -60.51 -43.4 97.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -57.84 -67.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 49' ' ' SER . 78.0 m -49.79 -54.12 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.6 p -34.78 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -76.78 -43.57 17.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' CYS . 11.9 t -59.66 -59.01 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 35' ' ' ASN . 31.1 mt -46.9 -45.72 20.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -55.71 -31.18 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.9 -28.33 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 45.1 mt -60.62 168.89 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 32.5 t30 -137.46 121.21 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.74 154.22 93.16 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.318 -0.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.12 15.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.8 -176.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -122.97 114.73 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.16 152.66 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' ' CE2' ' A' ' 67' ' ' PHE . 1.1 ptpp? -156.64 145.96 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 68.3 m -62.02 160.72 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 11' ' ' LEU . 36.3 mt -91.57 -40.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -104.04 -32.09 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.462 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 26.2 mtp -81.69 15.56 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 66' ' ' THR . 45.4 m -154.2 133.73 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 67' ' ' PHE . 36.0 m -83.45 145.33 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.467 ' N ' HG21 ' A' ' 66' ' ' THR . 33.1 m-85 -123.68 163.93 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 168.7 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.69 -54.69 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -52.61 -38.43 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.85 -58.07 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 24.7 mm -42.43 -49.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -57.93 -55.24 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 t80 -44.72 -36.69 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.7 -63.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -47.27 -53.59 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -41.97 -36.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -104.02 -75.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.58 161.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.94 -16.99 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.325 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.02 -65.92 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 m -89.33 -35.73 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.84 -68.12 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' NZ ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -43.46 -65.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -44.95 -44.86 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.86 -29.74 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.429 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.7 m95 -92.64 -11.81 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.2 mt -111.54 20.61 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.63 28.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.16 16.77 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 13.7 t80 -112.09 117.51 32.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.56 134.26 55.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.0 -35.09 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -75.48 -32.39 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -74.52 -70.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -96.63 161.32 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.2 153.56 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.431 ' CG2' ' HD2' ' A' ' 99' ' ' PRO . 37.8 mm -87.01 136.89 33.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.537 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.77 -171.34 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 166.31 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.14 -36.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -51.48 -34.03 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -105.67 125.82 32.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -42.9 3.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -47.1 -55.0 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -53.34 -56.63 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.7 t -50.41 -55.66 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -38.45 -51.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.55 -65.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.537 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.9 t80 -45.3 -41.01 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.433 ' CD2' ' OD1' ' A' ' 25' ' ' ASP . 16.7 mt -61.77 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 44.2 mt-30 -58.14 -58.15 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -56.54 -13.17 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -95.51 -34.18 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -118.01 -55.94 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -53.68 -39.93 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -106.55 -28.05 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp 59.57 48.12 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -56.07 -72.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.5 m-90 -84.54 48.23 1.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -93.55 124.48 37.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.36 105.01 2.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.734 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.67 68.6 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.4 Cg_endo -69.73 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.4 pt-20 -35.1 -36.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -98.34 -53.59 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.63 -51.91 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -132.47 171.64 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -108.78 117.38 34.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.38 67.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -16.93 37.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 97.3 p 42.81 42.71 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 m -113.67 116.59 29.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.821 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.486 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -141.54 121.77 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.805 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 p -146.29 149.37 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 -90.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 m -160.1 139.25 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -84.84 134.73 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.62 -48.29 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 -52.39 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -41.95 -57.15 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ASP . 14.8 mtt -65.03 -39.24 93.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD11 ' CG2' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -36.1 -57.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -61.65 -39.08 90.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' MET . 4.4 t70 -45.52 -50.41 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.453 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 3.0 mpp? -58.48 -59.77 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.8 p -48.02 -38.0 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.83 64.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' NE2' ' A' ' 19' ' ' HIS . 77.6 mt -48.3 150.83 2.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.19 11.19 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.475 ' NE2' ' CD1' ' A' ' 17' ' ' LEU . 6.5 p-80 -75.34 -10.88 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 11.4 m-80 -97.93 -29.94 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 55.8 mmm-85 -36.98 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -130.4 161.79 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.57 179.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -98.48 -31.39 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CG ' HD13 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -99.79 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' GLN . 27.9 p -84.09 7.08 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER 40.52 25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.1 tp-100 -59.6 119.05 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.46 78.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.38 70.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.98 52.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 p -133.85 15.17 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' VAL . 12.0 m-85 -151.11 167.6 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.501 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 13.4 m -137.56 143.87 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 39' ' ' GLY . 48.6 t30 -103.53 90.23 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.17 -46.32 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -49.62 -37.97 30.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.438 HG22 ' ND2' ' A' ' 35' ' ' ASN . 5.0 t -118.85 19.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.4 34.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -105.67 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 21.6 m-85 -116.95 110.22 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.0 m -111.91 -175.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.11 178.92 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -53.89 -48.94 69.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.7 t -59.18 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' SER . 85.1 m -52.42 -59.06 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' CYS . 73.6 p -34.91 -47.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 -35.76 58.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' CYS . 64.0 m -61.45 -46.15 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.75 -31.62 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -57.53 -49.57 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.53 -33.68 12.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 75.7 mt -55.55 166.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 63.1 t-20 -137.94 119.99 10.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.66 0.743 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.72 156.52 92.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.345 -0.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 116.55 4.62 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.23 -178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -122.0 130.41 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.58 150.09 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 2.4 ptmt -148.75 122.44 9.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 1.6 t -43.63 158.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' CG2' HD11 ' A' ' 11' ' ' LEU . 77.3 mt -90.95 -34.49 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -103.69 -49.13 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.461 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 3.0 mtt -57.17 -35.85 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 m -108.04 136.75 47.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -84.57 151.09 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 4.5 m-85 -122.91 162.45 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -123.85 156.33 36.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' THR . 55.9 tp60 -36.42 -61.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -38.82 -61.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.65 -49.4 65.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.7 mm -44.96 -53.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.22 -38.28 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.29 -45.88 91.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.84 -57.49 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.453 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 21.2 mt-30 -54.63 -44.19 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.16 -34.45 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 33.1 m80 -98.86 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.66 159.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -66.42 -8.22 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -62.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.4 m -89.71 -37.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.4 m -46.47 -68.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 ttpt -43.55 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -45.08 -46.56 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.42 -29.01 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.423 ' C ' HD22 ' A' ' 88' ' ' LEU . 99.0 m95 -93.19 -12.68 29.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -112.94 18.82 17.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.69 -31.54 9.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.69 -34.09 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.13 144.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -157.81 113.54 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -50.59 -32.59 19.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -37.03 -47.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' SER . 58.7 m -121.77 -67.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' SER . 67.6 m -35.76 138.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.81 164.73 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 99' ' ' PRO . 28.5 mm -115.62 138.59 23.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.76 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.357 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.73 124.61 47.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 1.4 m-85 -74.6 -0.79 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.473 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 1.8 mpt_? -95.76 21.85 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.4 129.12 3.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.31 31.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -76.95 -37.89 54.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -76.68 -38.73 53.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 101' ' ' PHE . 77.2 t -74.91 -46.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -64.51 -54.2 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -52.49 -38.96 60.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.515 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.8 t80 -74.69 -43.79 53.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.412 HD13 ' CG ' ' A' ' 25' ' ' ASP . 13.8 mt -55.59 -34.52 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLU . 41.2 mt-30 -66.03 -40.88 91.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.73 -14.75 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.506 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -110.76 -23.38 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.26 -52.66 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' GLN . 12.2 mm-40 -76.4 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -21.04 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt 46.28 37.29 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -45.83 -69.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' TRP . 1.2 m-90 -88.02 58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.67 113.18 26.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.73 108.47 9.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.01 66.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -44.06 2.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -53.66 -16.13 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -112.02 -45.47 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.84 -42.12 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -158.29 169.55 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.1 m -64.75 91.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.52 -95.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.0 m -122.99 42.66 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.5 p -171.4 160.79 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.461 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m 47.25 48.53 16.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -55.56 120.53 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.35 -170.72 34.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m 44.39 31.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -63.91 131.68 48.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 -57.94 4.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.56 -48.4 69.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -61.36 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASP . 63.6 mmm -59.74 -42.75 93.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.443 HD11 ' CG2' ' A' ' 62' ' ' ILE . 1.5 tm? -38.05 -47.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -58.61 -42.17 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' MET . 10.8 t70 -45.15 -52.42 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 mpp? -57.16 -65.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.6 p -44.99 -30.49 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.14 -49.76 75.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 15.2 mt -40.62 149.76 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.69 10.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 4.9 p-80 -72.13 1.38 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . 42.2 m-20 -114.28 -33.61 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -37.24 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ASN . 79.0 mttt -122.01 178.68 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.49 174.92 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 3.9 t80 -105.05 -22.45 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' HB3' ' CD1' ' A' ' 111' ' ' LEU . 0.4 OUTLIER -102.31 -62.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 p -93.66 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 49.31 26.08 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.34 148.75 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -90.38 98.62 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.37 68.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.96 36.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.7 p -130.4 19.06 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 13.5 m-85 -146.92 170.03 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 16.0 m -146.84 129.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' GLY . 49.1 t30 -86.25 87.36 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.3 mmt -45.46 -48.13 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.0 m -50.32 -34.69 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 2.5 t -120.34 19.09 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 35.14 35.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 87.8 p -104.18 179.93 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 9.1 m-85 -117.6 108.53 15.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -112.64 -177.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 p -113.67 176.04 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.514 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 m -61.97 -31.7 72.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -68.44 -39.61 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -76.0 -36.23 59.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.6 p -44.29 -35.9 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.37 -34.98 30.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -69.0 -56.52 7.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.1 mt -47.74 -49.34 28.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -58.63 -36.59 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.43 -28.17 59.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 38.5 mt -63.68 171.56 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 28.3 t30 -137.96 121.22 11.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.73 157.85 91.53 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.746 -1.772 . . . . 0.0 112.336 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -62.59 -176.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -119.58 125.83 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 154.26 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -154.76 136.72 14.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -55.52 147.14 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' CG2' HD11 ' A' ' 11' ' ' LEU . 70.4 mt -82.83 -38.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.165 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -99.53 -49.55 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 ttt -56.38 -37.66 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -107.78 131.07 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -82.87 149.2 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 2.3 m-85 -116.3 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -128.44 149.79 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' THR . 13.7 tm0? -34.42 -47.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -50.87 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.44 -44.42 84.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 HG23 ' NE2' ' A' ' 76' ' ' GLN . 38.7 mm -47.43 -52.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -51.9 -45.0 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -55.75 -56.5 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.4 -60.5 3.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.466 ' NE2' HG23 ' A' ' 72' ' ' ILE . 36.0 mt-30 -50.88 -44.39 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.32 -33.77 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.0 m80 -102.44 -75.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.82 158.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.42 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -65.04 -9.64 23.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 37.7 tt0 -55.22 -65.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 m -88.78 -41.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.1 m -42.16 -68.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.5 ttpp -41.03 -66.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.7 -48.34 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.4 mt -54.9 -30.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 114' ' ' LYS . 99.5 m95 -92.91 -15.71 26.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -110.76 24.16 13.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -53.55 -48.72 59.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.2 mt -86.62 -34.98 19.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.05 78.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 4.6 t70 -110.02 36.42 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 71.18 46.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -76.3 53.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m 58.74 35.3 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -93.96 -179.84 5.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.44 119.85 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.0 mm -76.84 132.22 71.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' HG3' ' CB ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.84 155.6 65.24 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.95 176.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.75 37.19 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -127.07 -36.15 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -100.99 130.66 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.94 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -64.89 -46.9 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -65.54 -47.1 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.4 -41.51 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -62.91 -59.85 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -48.46 -41.96 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 t80 -69.8 -43.68 71.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 25' ' ' ASP . 13.7 mt -58.76 -33.19 70.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.462 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 49.5 mt-30 -63.46 -38.21 90.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.01 -13.04 62.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.408 ' O ' ' CE3' ' A' ' 87' ' ' TRP . 2.9 ttpm? -113.66 -11.14 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.01 -50.41 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLN . 9.4 mt-10 -81.89 -58.84 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -71.5 -26.52 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 55.59 39.61 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -50.8 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.6 m-90 -88.04 51.5 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.45 122.87 37.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.2 t -149.83 105.23 3.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.74 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.7 66.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.2 Cg_endo -69.74 -36.77 10.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.388 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 124' ' ' PRO . 17.0 mt-10 -35.37 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 124' ' ' PRO . 6.0 tp-100 -101.84 -44.0 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.96 -45.52 51.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -115.48 118.87 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.5 m -43.49 113.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 113.57 108.92 2.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 168.82 20.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.9 t -86.45 82.23 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.8 p -71.89 83.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.497 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -86.23 123.9 32.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -112.35 119.4 38.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.31 -82.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 t -91.08 98.59 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -114.03 138.54 50.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 -44.09 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.99 -55.51 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.857 0.36 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.76 -35.95 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 83.8 mtp -76.07 -27.69 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.92 -62.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -46.9 -37.1 8.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.23 -35.98 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.45 ' CE ' HD11 ' A' ' 72' ' ' ILE . 20.6 mtm -65.98 -57.54 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 p -55.89 -25.94 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -33.22 86.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -47.75 153.14 1.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.616 0.722 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -44.3 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.752 2.301 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -72.29 1.05 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -127.21 39.04 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.19 -21.34 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -127.99 163.33 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.64 175.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -102.75 -22.21 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.17 -66.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASP . 15.1 p -84.97 9.92 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t0 35.47 38.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 28.3 tt0 -76.35 145.18 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.59 110.72 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.52 66.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.97 29.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 57.1 p -128.83 25.26 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 32' ' ' THR . 11.7 m-85 -150.91 158.69 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.72 124.53 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.8 t-20 -83.67 109.73 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mmt -65.12 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' GLY . 3.4 t -110.4 13.53 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 34.46 36.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 65.7 p -110.56 177.43 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.39 113.23 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' TYR . 19.3 m -123.35 -175.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.3 p -118.16 -177.98 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -62.67 -61.01 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -38.64 -51.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -71.31 -46.06 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -40.28 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -32.63 66.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.0 p -76.81 -37.9 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.385 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.42 -35.06 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -65.59 -11.69 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.72 -38.49 23.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 72.5 mt -52.66 172.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -144.44 119.39 5.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 152.84 92.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.379 -0.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 135.96 31.8 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -75.81 178.85 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -112.06 113.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.56 120.69 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -123.48 127.55 48.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.73 155.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.7 mt -89.53 -40.23 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t -102.45 -51.89 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.11 -27.94 48.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -118.48 135.93 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.7 m -91.69 159.14 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -124.17 176.83 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.92 151.64 51.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -42.06 -37.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.35 -53.67 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.45 HD11 ' CE ' ' A' ' 14' ' ' MET . 32.5 mm -42.14 -66.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -41.82 -56.12 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -49.62 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.47 -53.27 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -45.25 -32.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 15.7 m80 -96.49 -75.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.63 158.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -65.22 -10.58 32.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.88 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.14 -35.68 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -45.66 -68.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.1 ttpp -40.81 -66.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -44.99 -50.74 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.36 -28.48 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.413 ' C ' HD21 ' A' ' 88' ' ' LEU . 98.8 m95 -94.26 -19.06 21.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 88' ' ' LEU . 5.7 mt -101.68 14.04 33.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -33.39 -41.99 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.4 mt -100.98 -48.7 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 9.3 t80 -45.18 117.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 95' ' ' SER . 80.4 m-20 -118.87 158.33 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.38 -45.83 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -47.3 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 92' ' ' ASP . 37.4 t -45.33 -67.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 m -115.64 162.24 17.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.96 137.36 51.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.494 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 23.3 mm -62.6 134.65 95.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.621 0.725 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo -69.75 -169.99 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.58 171.16 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -122.56 -33.17 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.62 -29.51 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -112.39 128.69 25.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -40.81 4.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -47.9 -50.28 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -56.77 -55.45 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.48 -44.49 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.05 -66.89 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.19 -61.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.558 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 6.1 t80 -44.83 -47.86 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.92 -30.64 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.9 mt-30 -73.22 -44.08 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.39 -12.77 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -103.75 -24.72 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -111.84 -54.28 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' GLN . 33.0 mm-40 -68.3 -58.35 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -27.52 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 47.0 49.02 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.479 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 8.0 ptm180 -66.84 -51.88 50.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.511 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.3 m-90 -84.8 8.23 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -65.88 130.77 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.5 t -153.36 109.38 2.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.66 60.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.75 19.82 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -50.88 -26.52 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -95.38 -64.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.31 -47.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' SER . 22.9 ttmt -102.65 148.52 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' LYS . 67.8 m -37.05 106.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -171.6 91.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.6 Cg_endo -69.73 -2.06 9.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' PRO . 47.1 t -36.57 147.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.9 p -125.39 167.28 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.468 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 m -97.98 -57.68 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -54.3 107.81 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.6 -45.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -49.64 -47.05 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -72.86 166.81 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.73 -63.2 2.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.5 mm? -48.15 -57.5 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -41.16 -38.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 36.5 mtm -80.84 -33.94 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LEU . 1.5 tm? -55.4 -46.84 76.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -53.78 -56.91 13.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -43.97 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 mtm -58.96 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -51.89 -18.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' NE ' ' A' ' 21' ' ' ARG . . . -78.94 -29.8 49.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.5 mt -38.35 144.55 0.38 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -11.98 31.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 81' ' ' GLU . 2.2 p-80 -104.05 2.65 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ARG . 83.6 m-20 -120.74 -18.11 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mmt180 -35.16 -36.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASN . 30.5 mtmt -117.65 178.49 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.21 179.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -92.55 -43.37 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' CG ' HD13 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -96.19 -66.89 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 12.4 p -75.11 1.64 12.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 37.83 35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.4 tp60 -68.3 139.12 55.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -74.57 113.72 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.43 68.73 0.81 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.29 39.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -129.22 20.66 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 22.1 m-85 -147.86 161.32 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 67' ' ' PHE . 17.8 m -143.83 121.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 37' ' ' THR . 22.0 t-20 -76.4 63.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 81.5 mmm -33.75 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' ASN . 22.3 m -55.32 -53.27 58.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG21 ' ND2' ' A' ' 35' ' ' ASN . 20.4 t -87.35 -40.97 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.48 27.93 4.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 p -118.77 179.97 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -109.3 119.57 39.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' TYR . 23.5 m -119.37 -176.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.75 179.79 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.47 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 15.1 t -60.45 -34.62 74.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -67.05 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.5 m -53.17 -47.74 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.8 p -44.37 -32.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.33 -28.59 43.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.2 t -76.99 -45.28 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -52.6 -39.99 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.69 -32.35 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.58 -34.46 86.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 16.2 mt -57.07 173.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 18.8 t-20 -143.47 119.89 6.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.71 157.16 92.22 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.334 -0.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.43 47.89 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -86.77 178.4 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.8 tpt85 -110.32 140.68 44.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.25 133.48 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -136.1 121.52 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -44.66 151.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 11' ' ' LEU . 95.6 mt -87.92 -31.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -98.66 -54.95 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 29.6 tpp -57.46 -38.95 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.2 m -112.22 132.23 55.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 67' ' ' PHE . 23.5 m -94.26 154.66 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.465 ' CZ ' HG22 ' A' ' 34' ' ' VAL . 27.1 m-85 -114.86 -175.53 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 t -131.71 153.35 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' NE2' ' HG3' ' A' ' 73' ' ' GLU . 1.5 tm0? -38.53 -53.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.95 -60.77 2.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -53.91 -57.14 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 mm -36.97 -48.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 13.6 mt-10 -59.1 -47.27 85.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 t80 -57.04 -25.78 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.5 mt -89.54 -41.37 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -64.44 -23.78 67.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -106.01 -75.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 163.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.84 -13.86 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 29.4 tt0 -50.97 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -93.42 -37.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -44.06 -68.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.4 ttpt -39.62 -66.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.6 -50.6 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.3 mt -52.07 -28.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.419 ' C ' HD22 ' A' ' 88' ' ' LEU . 99.3 m95 -94.29 -17.2 22.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 89' ' ' GLY . 6.4 mt -104.4 15.35 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -31.97 -44.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.52 -43.11 6.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 2.6 t80 -56.7 94.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -119.72 40.08 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.59 43.68 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -114.52 -53.45 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.5 p -102.33 -45.08 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.8 t -91.61 158.65 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.42 169.59 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.6 mp -85.84 126.52 65.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.516 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.9 Cg_endo -69.73 -170.1 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.71 171.58 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 6.6 m-85 -124.62 -23.04 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.65 -14.85 61.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 108.11 40.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.89 -46.36 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.35 -50.07 49.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.1 t -47.27 -42.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -53.42 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.82 -55.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -55.03 -43.17 73.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.412 HD13 ' CG ' ' A' ' 25' ' ' ASP . 13.2 mt -63.45 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 95.9 mt-30 -65.84 -38.36 88.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 16.2 mt-10 -65.04 -15.79 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.449 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -103.18 -24.24 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -107.94 -54.67 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 24.9 mm-40 -71.03 -56.89 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 5.7 mmmm -80.93 -25.84 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.3 mttt 45.42 42.39 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.557 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.0 ptm180 -61.91 -40.23 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.557 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 4.9 m-90 -97.12 22.93 7.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.413 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 26.1 t80 -77.0 131.21 38.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 121' ' ' TYR . 53.6 t -159.09 105.02 1.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.5 68.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -40.47 5.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 124' ' ' PRO . 4.2 mp0 -35.72 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 124' ' ' PRO . 19.1 tt0 -105.08 -46.07 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.01 118.09 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -66.83 93.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.5 m -141.08 118.16 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 42.52 -150.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 107.64 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.6 t -68.62 100.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.7 p -125.74 110.91 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -46.45 135.27 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -46.61 130.12 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.52 92.16 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -48.42 113.28 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -73.96 143.62 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.81 -53.45 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mp -46.61 -44.67 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -42.11 -35.74 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LEU . 33.7 mtp -84.88 -47.39 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 67' ' ' PHE . 12.3 tp -37.0 -42.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -57.03 -56.38 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.57 -32.19 66.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.467 ' CE ' HD12 ' A' ' 11' ' ' LEU . 27.3 mtp -63.24 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.9 p -69.26 -12.11 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -92.78 -34.11 7.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' GLY . 81.1 mt -35.87 153.65 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.7 2.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -70.0 -9.57 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -118.29 34.86 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -90.66 -27.69 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -125.4 176.45 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' GLN . 2.2 t -71.73 174.02 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -94.74 -30.2 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.47 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.76 8.24 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.569 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 m-20 38.82 33.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' CYS . 17.2 tt0 -75.64 144.03 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 2.4 tmm_? -83.14 134.44 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 93.66 53.71 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 53.9 Cg_endo -69.76 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 10.3 t -108.29 28.31 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 32' ' ' THR . 24.0 m-85 -149.43 159.15 44.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.97 132.61 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' GLY . 37.8 t-20 -82.93 114.68 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.89 -24.98 55.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -76.76 -45.92 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.8 -31.33 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 86.71 26.24 32.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.2 p -107.08 175.92 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -110.96 109.68 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -112.73 -177.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.7 p -115.64 177.12 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.449 HG22 ' CZ ' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -57.68 -37.17 72.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.5 t -63.96 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' SER . 82.7 m -57.36 -51.8 67.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 93.7 p -41.74 -28.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.8 -32.86 20.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -72.69 -47.55 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -48.53 -33.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -65.35 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.55 -31.47 74.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD2' ' CG ' ' A' ' 112' ' ' GLN . 34.2 mt -58.21 171.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.42 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 57.6 t30 -138.03 120.31 10.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.73 157.62 91.79 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.332 -0.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.78 6.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -63.47 178.44 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -119.87 127.42 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -133.98 154.51 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -148.51 152.46 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 47.0 m -76.08 138.83 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.7 mt -80.54 -28.37 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -104.05 -55.17 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.468 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 7.3 ttp -58.99 -34.59 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.3 m -118.34 138.04 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 67' ' ' PHE . 8.5 t -83.18 -177.03 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 11' ' ' LEU . 38.4 m-85 -144.02 -177.05 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.1 t -134.03 142.76 47.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.46 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -34.05 -49.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -50.71 -46.07 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 6.2 mm-40 -65.02 -61.09 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 72' ' ' ILE . 1.4 mp -35.97 -64.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -46.69 -52.4 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.27 -26.83 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.36 -51.62 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.91 -49.8 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -52.78 -27.2 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.4 m80 -101.43 -75.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.77 162.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -63.66 -10.8 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -53.83 -64.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.7 m -93.16 -33.23 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -47.2 -68.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -41.3 -65.81 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -45.18 -50.1 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.76 -31.07 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.426 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -92.14 -14.27 29.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 88' ' ' LEU . 1.5 mt -109.67 25.24 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.37 -47.62 68.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.52 14.97 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -106.56 118.81 37.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.97 130.23 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.93 -43.03 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -75.31 -49.28 19.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -52.51 -61.74 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.3 m -101.74 179.56 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.46 168.22 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.2 mm -110.28 130.97 22.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.38 162.99 14.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.1 m-85 -115.19 42.97 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -130.36 -38.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.95 117.4 64.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.67 31.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -76.82 -57.73 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.08 -41.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -58.74 -48.63 80.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -57.92 -53.46 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -56.96 -45.59 82.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.38 -37.01 74.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.6 mt-30 -61.71 -43.19 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.02 -12.62 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.49 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 13.8 ttmt -98.23 -29.09 13.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.49 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 6.9 m-85 -118.08 -56.15 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 112' ' ' GLN . 11.0 mt-10 -58.36 -35.0 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -111.5 -19.89 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.497 ' HD3' ' CG ' ' A' ' 121' ' ' TYR . 31.9 mttt 48.25 49.11 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.12 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -87.01 45.58 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.497 ' CG ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t80 -89.75 106.63 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.61 102.66 12.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 154.79 67.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -38.6 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -38.8 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' PRO . 16.6 mt-30 -98.3 -37.86 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -50.66 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -114.9 -72.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -171.9 155.56 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 150.27 159.0 8.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.42 42.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.1 m -69.32 131.15 44.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 m -103.68 148.56 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.492 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -58.55 161.44 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -103.45 154.6 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.56 -72.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -119.38 123.5 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -62.87 136.76 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.27 -54.5 4.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.05 -51.38 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -44.23 -59.51 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.74 -47.69 85.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CD2' HG22 ' A' ' 62' ' ' ILE . 19.5 tp -40.28 -56.7 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -48.81 -44.46 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -46.1 -46.07 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.472 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mpp? -62.84 -58.61 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -43.41 -33.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -63.93 -46.03 92.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' ND2' ' A' ' 20' ' ' ASN . 71.6 mt -37.81 153.8 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -65.04 -10.44 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.449 ' ND2' HD13 ' A' ' 17' ' ' LEU . 81.7 m-20 -116.97 34.02 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -87.96 -39.63 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HB2' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -123.89 -176.72 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.18 175.74 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.5 t80 -96.36 -24.61 16.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.73 -70.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.27 -5.9 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' C ' ' HB2' ' A' ' 22' ' ' LYS . 2.5 m-20 45.77 44.58 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.97 103.37 13.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -43.78 125.32 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 61.02 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.13 59.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 t -131.62 19.0 4.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' VAL . 29.4 m-85 -148.41 160.09 43.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.44 118.49 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' GLY . 36.7 t30 -72.58 101.15 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.3 mmt -56.1 -46.0 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 m -50.36 -47.98 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 3.5 t -105.99 17.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.46 37.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.6 p -108.07 177.34 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.05 114.47 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' TYR . 28.8 m -120.04 177.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.11 177.79 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -60.95 -34.85 75.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -64.73 -67.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' SER . 39.5 m -57.76 -52.56 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' CYS . 66.7 p -35.55 -44.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.17 -39.39 83.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -66.97 -52.04 47.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 mt -42.11 -37.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -62.61 -41.52 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.06 -31.67 48.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 33.9 mt -51.44 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -137.44 116.09 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.02 90.39 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.349 0.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.57 28.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.09 -177.04 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -118.35 130.21 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.4 m -134.13 145.17 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -148.57 121.67 8.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -45.57 157.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' A' ' 11' ' ' LEU . 88.0 mt -90.95 -45.09 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -92.22 -50.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.0 tpp -57.95 -37.33 73.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m -112.79 135.94 52.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 t -85.49 169.46 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -134.11 160.64 37.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 t -114.98 161.33 18.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -40.77 -44.92 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.85 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -52.88 -59.78 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.0 mm -38.18 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.78 -42.96 85.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -56.08 -46.37 79.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -57.4 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.472 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.3 mt-30 -54.68 -41.61 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -53.95 -27.65 32.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 32.4 m80 -110.12 -75.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.71 158.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -58.52 -18.34 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.97 -64.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -92.25 -37.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.43 -68.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.1 ttpt -40.64 -67.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -44.15 -50.68 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.06 -29.54 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -93.53 -15.39 25.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.502 ' CD2' ' NZ ' ' A' ' 114' ' ' LYS . 3.0 mt -111.27 26.06 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.4 -50.11 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.95 -34.89 16.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 6.9 t80 -57.4 122.85 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -131.73 111.97 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -39.54 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -39.68 -47.65 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -103.15 -72.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 p -51.27 178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.38 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.2 mm -90.97 126.26 56.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.29 24.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.19 162.01 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -115.2 33.06 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -117.56 -36.79 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.99 125.12 45.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -17.84 37.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.741 2.294 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.0 -49.16 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 6.2 mmmm -67.23 -44.25 79.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.08 -45.83 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -58.43 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.6 pt-20 -48.68 -41.94 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.5 t80 -66.25 -54.82 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 115' ' ' TYR . 13.0 mt -52.6 -46.37 66.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 116' ' ' GLU . 82.0 mt-30 -62.13 -44.01 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -62.88 -12.55 25.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 7.6 ttmm -103.03 -24.01 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.557 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 15.1 m-85 -116.4 -56.02 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -61.95 -51.46 68.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -91.81 -28.04 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 18.7 mttp 56.15 37.2 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.469 ' HD3' ' CE2' ' A' ' 120' ' ' TRP . 58.9 ttt85 -48.84 -71.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.469 ' CE2' ' HD3' ' A' ' 119' ' ' ARG . 1.8 m-90 -81.9 40.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 28.8 t80 -85.48 121.11 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -145.53 106.34 4.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 148.41 64.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' PRO . 14.9 mm-40 -34.53 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 34.1 mm-40 -98.43 -39.66 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 128' ' ' LYS . . . -60.58 93.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' ALA . 23.5 mttm -37.55 143.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -107.43 138.43 43.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 131' ' ' PRO . . . -62.05 -62.95 5.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 130' ' ' GLY . 53.6 Cg_endo -69.82 147.49 62.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.9 t -82.65 143.86 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 t 62.72 42.08 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.523 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -105.4 -57.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -157.31 155.53 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.87 174.4 15.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t 53.5 39.87 30.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -112.45 -58.63 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.67 93.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.58 -46.67 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -47.73 -48.1 29.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LEU . 5.1 mtt -53.94 -47.37 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER -37.6 -58.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -43.94 -44.55 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.35 -46.87 73.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.424 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.0 mpp? -60.37 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.5 p -46.83 -37.01 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -52.62 -49.34 53.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 42.4 mt -36.55 151.69 0.11 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.64 21.96 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 8.8 p-80 -83.41 -0.69 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -127.25 35.38 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -93.27 -29.76 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -128.12 172.18 11.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.87 174.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.74 -25.51 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' CG ' ' CD2' ' A' ' 111' ' ' LEU . 4.8 m-20 -108.57 -68.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ASP . 17.8 p -75.94 5.57 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.7 m-20 35.22 49.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -91.81 119.44 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -57.44 133.53 55.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.43 55.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.84 13.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 10.1 t -116.01 25.12 10.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 32' ' ' THR . 19.1 m-85 -150.91 163.71 38.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.33 124.75 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' ND2' HG22 ' A' ' 38' ' ' VAL . 38.4 t-20 -74.04 108.75 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -66.82 -30.35 70.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -73.25 -63.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG22 ' ND2' ' A' ' 35' ' ' ASN . 46.8 t -70.65 -29.22 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.82 27.73 40.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 p -113.26 -179.69 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -108.07 117.93 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.7 m -120.35 -178.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.0 -178.33 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 45' ' ' SER . 8.8 t -67.26 -27.48 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 44' ' ' THR . 24.4 t -70.93 -67.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 60.6 m -55.53 -47.96 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 p -38.56 -44.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 -34.72 61.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.7 m -70.0 -53.9 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -58.97 -41.38 87.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -49.89 -36.21 26.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -57.91 173.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.5 t30 -137.41 121.46 12.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.8 155.74 93.23 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.384 0.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.95 4.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -63.51 173.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -113.45 128.84 56.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.95 139.88 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -139.09 137.23 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -57.93 152.07 16.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.36 -36.51 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 m -103.26 -47.77 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.57 -37.68 88.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 m -110.98 144.63 39.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -98.45 171.7 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -137.5 166.29 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.6 t -108.69 161.9 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 48.9 tp60 -45.3 -65.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.1 pt20 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 70.1 mt-10 -64.24 -54.34 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.424 HG23 ' CE ' ' A' ' 14' ' ' MET . 38.2 mm -45.19 -57.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 11.4 mm-40 -53.8 -60.53 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -41.76 -33.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.72 -44.07 34.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -66.0 -50.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -47.96 -30.25 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 29.7 m80 -100.8 -75.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 58.4 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.91 -17.02 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -49.95 -61.96 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.21 -37.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.89 -68.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.7 ttpp -39.8 -66.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -44.59 -51.06 9.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -52.06 -28.4 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 120' ' ' TRP . 96.9 m95 -94.03 -20.2 20.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 6.0 mt -102.33 20.55 16.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.93 -49.44 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.42 -32.4 14.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.22 98.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' ASP . 18.6 t0 -115.37 41.94 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASP . 5.8 m-20 34.33 37.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 92' ' ' ASP . 8.0 mmp_? -120.01 -62.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.0 t -97.14 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.9 p -172.62 158.57 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.59 128.05 49.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.52 132.45 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.651 0.739 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.524 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 54.1 Cg_endo -69.76 -178.64 2.44 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.62 160.8 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.05 -38.44 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -49.24 -35.2 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.9 135.82 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -42.15 -55.68 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -49.63 -44.16 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.0 t -69.9 -37.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -58.14 -61.77 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -48.3 -56.11 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 3.1 t80 -57.56 -39.52 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.457 HD23 ' CE2' ' A' ' 115' ' ' TYR . 13.6 mt -60.32 -42.88 96.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.8 mt-30 -58.08 -56.98 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.52 -13.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -91.12 -37.52 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.457 ' CE2' HD23 ' A' ' 111' ' ' LEU . 2.6 m-85 -117.97 -55.02 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.9 mm-40 -49.66 -44.39 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -105.76 -26.94 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.465 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 21.0 mttp 60.04 54.96 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -60.71 -69.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.1 m-90 -85.96 39.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.465 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 14.7 t80 -82.13 108.8 15.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.56 105.01 8.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.5 56.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.02 27.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.65 -35.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -86.02 -31.87 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.53 151.39 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 51.32 41.36 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 42.8 t -72.67 135.29 45.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.36 42.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.36 18.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 m -99.13 44.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 t -127.14 121.21 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.475 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -89.35 84.52 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -74.9 149.21 39.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.07 -107.48 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 57.96 52.57 7.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -48.53 -60.1 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.48 -57.45 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -41.61 -60.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -37.44 -52.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.465 ' CB ' HG23 ' A' ' 72' ' ' ILE . 88.2 mmm -52.16 -45.05 64.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -42.2 -48.68 4.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 43.8 mtm180 -56.69 -57.13 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -35.63 -47.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 mpp? -56.61 -56.91 15.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.3 p -51.66 -35.63 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -53.65 -51.27 49.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLY . 32.3 mt -35.55 151.34 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.94 9.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -73.43 -22.03 60.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -106.02 39.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -96.56 -27.39 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -123.6 175.91 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.48 176.02 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -97.48 -30.4 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.58 -70.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 13.3 p -69.42 -4.41 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 43.33 40.2 2.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 48.1 tt0 -80.09 163.31 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 50.7 ttp180 -94.53 111.2 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.27 65.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.6 11.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 68.3 p -117.33 23.36 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.163 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' A' ' 32' ' ' THR . 9.9 m-85 -149.7 166.5 29.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG12 ' CD2' ' A' ' 41' ' ' PHE . 15.8 m -152.16 122.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG21 ' A' ' 38' ' ' VAL . 48.3 t-20 -75.67 111.8 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mmm -71.95 -26.92 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.4 m -70.74 -53.03 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' ND2' ' A' ' 35' ' ' ASN . 40.3 t -85.06 -31.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.21 28.48 20.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 p -112.08 177.99 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 16.4 m-85 -111.36 114.81 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' TYR . 29.6 m -119.51 -175.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 p -114.08 176.01 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.463 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 1.7 m -59.84 -41.56 91.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.29 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' SER . 71.0 m -57.48 -54.81 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -38.13 -35.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.3 -39.69 51.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.5 m -67.52 -53.46 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.07 -45.09 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -49.95 -43.67 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.12 -30.94 25.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 53.7 mt -55.7 172.99 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -144.71 116.31 5.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.54 91.06 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.319 -0.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 120.71 7.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -59.53 173.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -110.46 115.14 29.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -124.03 142.63 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -141.71 128.16 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -54.08 158.61 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -88.96 -37.6 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.9 p -103.34 -50.53 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.0 mmm -59.94 -24.61 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -125.13 148.36 48.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -100.12 176.2 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' ' 11' ' ' LEU . 91.3 m-85 -144.35 169.22 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' GLN . 8.0 t -126.17 147.18 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.157 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 2.4 tm0? -34.36 -53.87 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -44.15 -46.07 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' THR . 42.6 mt-10 -76.66 -41.89 43.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 10' ' ' MET . 44.4 mm -48.65 -58.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -55.36 -55.81 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.2 t80 -46.17 -34.46 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -25.65 41.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 36.0 mt-30 -80.61 -46.71 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.11 -15.3 5.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 28.6 m80 -111.53 -76.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.38 159.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.52 -13.61 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -52.66 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.4 m -91.57 -38.86 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.66 -68.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.1 tttt -40.33 -65.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLY . 29.9 mt-30 -43.77 -50.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.408 ' O ' HG21 ' A' ' 86' ' ' ILE . 75.2 mt -51.97 -36.78 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.435 ' C ' ' CD2' ' A' ' 88' ' ' LEU . 98.2 m95 -86.43 -12.87 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -115.24 14.78 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -55.34 -41.68 80.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 122' ' ' VAL . 11.8 mt -93.12 -24.94 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' HA ' ' CD1' ' A' ' 120' ' ' TRP . 5.2 t80 -41.61 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' ASP . 6.1 m-20 -122.02 130.72 53.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -34.12 -69.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' ASP . 36.0 mtp85 35.65 42.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t 69.51 43.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 93' ' ' ASP . 48.9 m -120.35 149.69 41.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.67 157.43 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 99' ' ' PRO . 48.6 mm -74.66 136.78 74.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo -69.74 173.21 11.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.83 159.55 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 12.3 m-85 -111.79 -39.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -43.84 -26.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -114.29 120.43 38.31 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -19.72 35.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.79 -44.86 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -67.3 -48.87 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.07 -38.33 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -51.6 -56.3 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -54.05 -65.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.425 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 12.2 t80 -44.4 -47.19 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.8 -53.14 52.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 116' ' ' GLU . 94.5 mt-30 -50.71 -52.99 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 38.9 mm-40 -58.15 -12.65 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -93.07 -35.76 13.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -118.44 -56.04 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -52.22 -38.64 58.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 25.4 mmtt -109.89 -21.22 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 mttp 54.21 47.13 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -53.33 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 1.5 m-90 -89.02 47.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -90.89 109.4 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 54.5 t -128.75 107.68 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.44 63.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.7 -38.84 7.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.751 2.301 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 124' ' ' PRO . 6.8 pt-20 -36.03 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 125' ' ' GLU . 1.1 tm0? -92.26 -44.87 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.94 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -101.05 110.16 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -129.21 176.82 7.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -126.61 -95.96 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 105.13 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 139.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.7 t -112.82 80.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.502 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -95.22 94.49 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -69.81 126.46 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 52.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -68.45 -49.28 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m 49.04 41.23 18.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.52 -54.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 8' ' ' LEU . 4.5 mm? -70.92 -43.53 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -53.25 -38.82 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtm -74.13 -48.3 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -45.69 -62.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -41.48 -29.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.01 -40.67 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 29.7 mtm -65.14 -63.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 t -56.02 -15.66 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.62 -33.96 41.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 13.7 mt -41.08 152.54 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -22.38 31.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 2.1 p-80 -87.14 -1.97 58.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -120.14 -14.5 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -40.28 -33.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -117.77 158.17 25.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 2.5 t -55.17 173.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 22.4 t80 -95.0 -22.05 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.62 -66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 p -82.38 4.51 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 1.0 OUTLIER 44.17 26.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLY . 39.3 tt0 -62.65 108.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.73 85.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 140.94 66.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.9 26.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.544 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 3.8 t -126.65 18.56 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 32' ' ' THR . 20.2 m-85 -149.64 165.55 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 HG22 ' CZ ' ' A' ' 67' ' ' PHE . 3.3 m -140.9 137.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' THR . 15.7 t-20 -92.63 75.98 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -43.11 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' ASN . 61.4 m -68.57 -53.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.44 -46.78 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.29 5.61 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p -109.16 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 3.3 m-85 -109.89 100.41 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -103.2 -175.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.07 -178.04 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -51.34 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -48.81 -49.15 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.58 -30.97 66.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 p -49.61 -34.34 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.5 -30.39 30.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -75.69 -22.51 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.57 -40.34 14.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -77.08 -8.3 57.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.53 -20.55 54.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.12 178.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -138.76 115.34 8.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.16 92.83 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.05 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -81.9 -178.53 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -116.99 127.53 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.07 130.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -127.99 134.42 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.416 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 51.9 m -54.57 147.78 13.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -81.91 -33.35 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.1 p -103.13 -53.87 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 tpp -56.08 -42.72 77.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -108.26 138.88 43.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.6 p -92.32 -175.03 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' CZ ' HG22 ' A' ' 34' ' ' VAL . 92.3 m-85 -143.82 -176.97 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 2.8 t -131.38 148.84 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 12.0 tm0? -36.67 -56.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -45.98 -58.92 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' ILE . 16.8 mm-40 -59.78 -57.15 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mm -36.86 -55.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 22.8 mm-40 -56.08 -56.18 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 t80 -44.72 -30.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.6 mt -85.73 -29.65 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.4 mt-30 -75.63 -38.02 59.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -69.72 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.9 m80 -112.42 -75.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.7 158.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.7 m-20 -61.19 -13.1 15.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.72 -60.99 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.2 m -93.01 -32.65 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.26 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -39.02 -63.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.53 -50.14 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 86' ' ' ILE . 63.0 mt -52.08 -36.91 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.436 ' C ' HD22 ' A' ' 88' ' ' LEU . 95.1 m95 -85.9 -14.42 44.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -110.44 17.79 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.68 -44.86 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.31 -18.06 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.472 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.2 t80 -71.69 124.63 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.53 -177.3 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.77 -37.09 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 95' ' ' SER . 5.4 ptt85 -88.41 -33.45 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.465 ' N ' ' HG2' ' A' ' 94' ' ' ARG . 49.3 m -66.78 -50.63 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -128.25 156.74 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.89 158.48 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 26.9 mm -88.47 134.11 35.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.709 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.71 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -93.71 155.72 17.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 49.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -134.34 -35.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.24 133.1 20.47 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.667 0.746 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.38 16.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.7 -51.21 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -61.51 -49.01 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.1 -39.46 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -64.81 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -45.46 -33.39 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 2.9 t80 -79.2 -48.82 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.18 -37.83 70.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 80.3 mt-30 -60.4 -56.73 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.459 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 46.7 mm-40 -57.21 -13.19 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 35.0 tttt -94.24 -35.48 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.97 -55.58 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.3 mm-40 -54.9 -31.59 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER -114.49 -26.91 7.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 56.77 49.8 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -60.93 -70.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.472 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.4 m-90 -82.31 49.3 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -90.99 127.41 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -153.73 104.99 2.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.49 69.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.7 Cg_endo -69.74 -34.18 15.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 40.4 mt-10 -35.23 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 84.2 mt-30 -96.79 -35.58 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -92.2 71.75 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -121.12 -47.58 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.1 t 52.13 40.14 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -164.93 -129.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 154.65 67.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m 54.94 41.86 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 p -45.48 -46.54 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -138.89 155.03 48.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -103.92 172.77 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.17 -67.49 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -87.34 96.01 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -158.42 139.16 12.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 -58.18 3.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -47.57 -46.86 28.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -48.4 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 mmm -56.97 -36.09 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -38.68 -65.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -41.59 -38.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.84 -46.61 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.41 ' CE ' HG22 ' A' ' 72' ' ' ILE . 2.1 mpp? -63.26 -57.57 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.2 p -51.14 -29.95 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.38 95.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD11 ' NE2' ' A' ' 19' ' ' HIS . 24.9 mt -46.25 153.07 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.09 2.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' HD11 ' A' ' 17' ' ' LEU . 14.7 p-80 -70.3 -1.1 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -124.25 34.32 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.49 -20.86 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -131.73 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.1 t -56.02 171.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -96.21 -26.21 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.25 -69.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.96 3.18 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.34 36.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.5 151.39 45.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.48 102.81 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.59 67.33 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.09 22.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.1 p -124.79 22.73 8.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' VAL . 13.3 m-85 -151.01 162.7 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.46 122.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' GLY . 17.5 t-20 -79.65 86.08 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.7 mmm -43.47 -47.64 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.1 m -52.32 -41.39 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG22 ' ND2' ' A' ' 35' ' ' ASN . 3.4 t -108.35 14.54 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 39.1 32.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -108.47 166.64 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -105.0 115.7 30.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 33' ' ' TYR . 13.2 m -122.28 -178.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.45 179.42 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 9.3 t -62.88 -40.18 96.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 t -58.52 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' SER . 69.1 m -55.29 -56.72 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' CYS . 73.5 p -36.5 -36.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.58 75.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' CYS . 31.7 m -68.92 -50.56 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -41.21 -41.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -60.5 -42.75 96.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.38 -35.02 20.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 68.9 mt -51.96 168.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -137.95 117.74 10.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.31 89.87 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.363 -0.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -65.14 -175.99 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -123.48 126.25 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.458 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -132.3 135.37 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -131.47 119.83 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.432 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m -45.19 155.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.3 mt -90.48 -34.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -102.84 -46.72 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.418 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 2.8 mpp? -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -110.35 138.51 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -91.6 -178.73 5.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -138.62 179.94 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.1 t -132.61 153.12 51.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' THR . 32.8 tp60 -38.45 -54.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -49.85 -57.23 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ILE . 75.2 mt-10 -57.84 -56.65 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' GLU . 47.1 mm -36.91 -63.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -50.28 -56.63 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.0 -41.1 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.7 mt -69.4 -50.64 44.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -56.51 -53.97 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -45.94 -34.75 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.5 m80 -96.82 -75.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.93 160.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -61.68 -15.65 41.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -48.48 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.91 -37.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -43.39 -67.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 ttpt -41.05 -67.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -43.9 -49.4 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.07 -30.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.428 ' C ' HD22 ' A' ' 88' ' ' LEU . 98.6 m95 -92.34 -12.41 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 HD21 ' CE ' ' A' ' 114' ' ' LYS . 7.5 mt -108.59 20.65 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.35 -56.06 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.3 mt -81.48 -41.08 22.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.413 ' CE2' ' CB ' ' A' ' 96' ' ' SER . 17.4 t80 -59.74 94.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -122.53 48.49 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t70 52.02 39.07 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -86.91 43.94 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.2 t 62.85 35.03 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.413 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 19.3 m -70.04 -175.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.98 119.54 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.9 mm -128.65 135.18 27.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 155.73 65.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' PHE . 1.1 m-20 -85.87 31.61 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' ASP . 1.6 m-85 35.9 44.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -127.7 -30.21 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.428 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 17.3 m-20 -114.11 129.61 24.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -26.79 27.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -68.74 -45.94 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.47 -44.81 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.18 -53.29 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -47.17 -52.35 15.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.86 -50.11 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.2 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.2 -35.21 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 116' ' ' GLU . 27.7 mt-30 -68.21 -36.54 79.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -72.13 -12.05 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.469 ' CE ' HD21 ' A' ' 88' ' ' LEU . 9.1 tttp -97.13 -32.02 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -118.29 -47.37 2.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.26 -33.4 75.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -114.51 -25.36 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 121' ' ' TYR . 18.3 mtpt 55.62 45.02 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -55.22 -69.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -84.07 43.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.466 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 22.6 t80 -89.24 115.41 26.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.1 t -142.45 105.0 5.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.23 68.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.79 6.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -41.5 -32.91 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -105.75 -40.27 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.5 -175.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 136.98 50.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 t -98.81 83.29 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 82.41 115.23 0.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.57 5.42 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 133' ' ' SER . 17.0 t -110.9 142.6 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 132' ' ' SER . 31.6 t -36.7 135.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.514 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -160.2 149.47 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -65.61 90.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.83 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 m -54.33 114.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 -66.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.24 -56.65 14.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -46.55 -42.47 15.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -46.71 -51.63 15.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 74.6 mmm -53.27 -39.24 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.78 -48.69 5.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.37 -55.24 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.78 -42.03 24.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.465 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 31.7 mtm -63.64 -53.75 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -51.6 -31.39 24.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.01 95.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 19' ' ' HIS . 19.3 mt -38.7 145.71 0.34 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 17' ' ' LEU . 4.9 p-80 -73.23 1.43 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' LYS . 58.6 m-20 -117.25 -26.44 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -40.71 -27.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.5 mtmp? -123.75 171.65 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' GLN . 1.8 t -73.01 -179.9 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -96.28 -38.18 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.26 -69.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 18.6 p -73.56 2.0 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 42.89 31.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' CYS . 3.2 tp-100 -69.93 144.09 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -84.71 113.65 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.08 66.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.6 35.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 65.2 p -124.97 18.33 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' N ' HD12 ' A' ' 62' ' ' ILE . 19.1 m-85 -146.35 168.32 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -144.38 131.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' ND2' HG23 ' A' ' 38' ' ' VAL . 21.3 t30 -84.01 83.0 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mmm -57.29 -17.76 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.484 HG21 ' CG ' ' A' ' 57' ' ' HIS . 1.7 t -77.99 -17.81 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.47 HG23 ' ND2' ' A' ' 35' ' ' ASN . 69.4 t -126.02 -55.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.73 18.3 2.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -106.76 176.6 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.02 112.47 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.07 177.32 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.97 176.67 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -57.31 -32.77 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -69.64 -67.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.57 -41.74 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.3 p -47.88 -33.74 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' HA2' ' NH2' ' A' ' 51' ' ' ARG . . . -85.79 -29.25 26.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 -46.85 46.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.82 -29.41 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' HA2' ' A' ' 48' ' ' GLY . 27.1 mtm105 -67.97 -44.73 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.61 -33.8 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 mt -55.45 170.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -141.33 117.37 7.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 160.46 87.92 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.366 -0.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.34 62.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.484 ' CG ' HG21 ' A' ' 37' ' ' THR . 11.7 m170 -84.09 -174.87 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.95 119.62 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.26 136.94 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -138.1 126.75 23.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 2.8 p -43.13 154.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 33' ' ' TYR . 64.9 mt -92.39 -47.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 m -94.28 -33.73 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.473 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.8 ttt -81.46 16.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.6 m -160.66 139.82 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -95.12 148.86 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -121.73 163.79 18.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 69' ' ' GLN . 9.3 t -117.79 157.18 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.461 ' NE2' ' HG3' ' A' ' 73' ' ' GLU . 7.1 tp60 -34.59 -53.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.48 -63.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -55.04 -43.64 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 29.7 mm -54.45 -65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 33.6 mt-10 -49.59 -35.31 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t80 -66.34 -32.5 73.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.75 -27.43 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 82.6 mt-30 -78.96 -39.32 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -67.15 -21.61 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 24.9 m80 -105.08 -75.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.15 167.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.82 -7.85 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.45 -61.01 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 83' ' ' CYS . 21.1 m -93.11 -45.25 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' N ' ' CG2' ' A' ' 82' ' ' VAL . 6.6 m -37.22 -68.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.94 -64.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -45.05 -48.03 11.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.7 -28.94 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.426 ' C ' HD22 ' A' ' 88' ' ' LEU . 98.3 m95 -93.44 -14.78 26.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.1 mt -109.35 14.32 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.24 -53.6 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.1 mt -85.17 -38.68 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.14 104.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . 0.7 OUTLIER -109.18 -15.32 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.3 OUTLIER 73.41 34.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -74.64 -55.31 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t -114.08 -41.09 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 p -56.35 175.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.72 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.446 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 1.3 mp -81.14 132.13 57.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.61 176.73 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -127.56 -31.17 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -26.54 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.07 123.03 38.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.825 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.63 12.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.632 2.222 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -52.93 -44.97 67.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -65.94 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.1 t -48.78 -36.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -56.57 -59.3 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -50.72 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 4.4 t80 -47.12 -43.7 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -58.26 -38.59 77.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 68.2 mt-30 -59.49 -56.17 25.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.36 -12.81 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -95.87 -33.55 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -117.54 -55.92 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.3 mt-10 -54.55 -42.25 70.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -105.96 -22.22 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.8 mttt 51.73 47.84 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -53.99 -67.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -87.05 54.26 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -95.98 102.38 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.58 101.42 24.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 0.0 112.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -43.84 -32.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -105.27 -53.24 2.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.2 164.35 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.0 p -52.84 -50.74 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 50.84 86.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.8 p -163.06 119.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.0 m -57.78 115.9 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.448 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.25 -40.27 11.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -52.76 -38.97 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -76.5 -28.9 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 62' ' ' ILE . 2.8 tt -67.98 -59.81 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -46.34 -22.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.12 -34.26 32.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 41.8 mtm -68.02 -60.98 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -62.4 -11.39 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.68 -34.82 27.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.957 HD13 ' NE2' ' A' ' 19' ' ' HIS . 18.4 mt -42.09 153.64 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -17.6 37.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.228 . . . . 0.0 112.312 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.957 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.8 p-80 -94.18 5.5 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -125.68 -12.35 6.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -45.38 -31.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -115.41 160.95 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.32 -179.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -96.05 -26.9 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 -70.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.55 -4.08 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 48.53 31.02 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 29' ' ' ARG . 5.3 tm0? -71.62 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 3.6 ptp85 -70.99 89.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.11 66.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 136.66 33.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.5 t -127.18 18.65 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.715 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.9 m-85 -149.97 161.14 42.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 m -142.14 131.12 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -84.4 118.63 24.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -74.05 -23.95 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -80.34 -61.31 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 t -74.7 -26.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.79 34.85 37.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 p -116.03 -179.35 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 4.6 m-85 -114.98 103.82 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -105.59 -175.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -116.38 179.87 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -60.78 -39.14 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.96 -59.04 5.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' SER . 79.6 m -62.32 -51.18 68.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.548 ' HA ' HG11 ' A' ' 59' ' ' VAL . 79.2 p -37.81 -45.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.56 -37.43 68.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 17.8 m -63.7 -56.34 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 42' ' ' VAL . 10.1 mt -40.39 -48.26 2.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 9.0 mtp-105 -50.72 -45.19 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.13 -33.24 22.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.846 HD22 ' OE1' ' A' ' 116' ' ' GLU . 42.7 mt -61.17 172.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.9 t30 -141.53 122.13 8.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.9 Cg_endo -69.71 153.83 92.95 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.309 -0.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.26 4.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -60.15 -177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -120.51 115.66 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.7 m -122.27 146.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -145.11 127.86 16.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -52.42 158.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 32' ' ' THR . 60.2 mt -90.64 -38.8 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.2 p -103.89 -30.98 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 4.6 tmm? -78.36 -20.61 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -132.19 153.16 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -99.07 176.95 5.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -149.7 161.52 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.88 168.14 9.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -52.05 -61.42 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 16.5 pt20 -41.52 -32.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 77.5 mt-10 -82.63 -54.58 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.0 mm -47.03 -58.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -52.15 -42.62 63.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -59.79 -41.35 90.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.79 -33.48 60.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 48.7 mt-30 -70.03 -42.08 73.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -69.13 -15.17 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.6 m80 -106.16 -75.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.58 162.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -66.58 -17.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.47 -67.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 83' ' ' CYS . 33.1 m -86.81 -45.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 82' ' ' VAL . 8.4 m -38.32 -67.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -43.01 -64.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.94 -45.35 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.74 -29.73 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.88 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.6 m95 -91.99 -14.89 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.88 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.63 24.36 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.64 -51.99 21.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.514 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.67 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.772 0.238 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.18 158.52 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -112.24 43.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -127.66 -37.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.55 135.0 19.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.59 9.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.4 -41.26 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -51.43 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 67.0 t -62.93 -32.13 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -71.77 -59.6 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.78 -33.64 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.4 t80 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.544 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.1 mt -52.15 -35.25 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 116' ' ' GLU . 98.1 mt-30 -62.55 -52.03 65.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 9.1 mt-10 -57.31 -12.67 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 6.4 tttp -96.46 -32.0 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.544 ' HE2' HD22 ' A' ' 111' ' ' LEU . 10.5 m-85 -116.46 -56.06 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.846 ' OE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.18 -41.75 79.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 19.0 mmtp -103.79 -27.58 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 35.9 mttp 54.64 50.07 16.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -61.69 -67.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.5 m-90 -84.9 40.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 10.3 t80 -89.03 104.73 17.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.7 t -133.67 98.71 14.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 156.08 64.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -38.73 7.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -39.88 -38.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.1 mp -60.67 -46.01 91.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.99 -34.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtp -69.26 -39.31 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -51.21 -51.33 54.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.49 -47.35 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.56 -34.69 73.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 mtm -68.49 -52.97 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 11' ' ' LEU . 68.2 p -55.95 -26.66 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -34.52 63.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.444 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' NE2' ' A' ' 19' ' ' HIS . 76.9 mt -46.86 151.28 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.01 19.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.685 ' NE2' HD13 ' A' ' 17' ' ' LEU . 29.3 p-80 -84.2 4.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -131.1 29.95 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -90.45 -32.91 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -121.27 179.26 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.37 174.57 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 24.7 t80 -104.83 -14.66 15.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -111.33 -68.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.4 p -84.91 4.79 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.51 29.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 29' ' ' ARG . 59.3 tt0 -62.88 159.33 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.1 tmt_? -96.41 110.34 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.15 68.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 125.04 11.64 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -119.13 19.71 12.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 14.8 m-85 -146.3 158.13 43.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 m -142.69 138.89 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.569 ' ND2' HD13 ' A' ' 50' ' ' LEU . 10.0 t-20 -88.94 112.05 22.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mmt -68.57 -30.04 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -72.72 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -74.0 -31.28 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.75 31.51 26.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 p -115.96 -179.18 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -110.61 119.69 39.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 33' ' ' TYR . 17.1 m -121.13 -179.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.8 p -109.89 176.06 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 4.9 m -61.86 -47.12 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -54.13 -37.35 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -78.57 -41.63 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.0 p -42.7 -29.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.44 -41.54 7.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -65.06 -51.07 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' ND2' ' A' ' 35' ' ' ASN . 20.0 mt -44.5 -47.44 10.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 10.9 mtm105 -55.07 -46.35 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.02 -30.89 5.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 64.5 mt -61.1 167.37 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.954 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -137.88 120.19 10.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.79 158.42 91.12 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.352 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 120.02 6.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -61.27 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -126.03 122.11 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.42 152.8 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -150.42 119.1 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.4 m -44.71 151.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.44 -38.77 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -101.27 -49.75 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -59.16 -34.07 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.6 m -116.32 142.11 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -88.31 170.42 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.91 170.73 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 71' ' ' GLU . 3.5 t -125.04 158.22 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -44.39 -43.8 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -57.27 -63.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' H ' HG23 ' A' ' 68' ' ' THR . 43.6 mt-10 -50.29 -50.44 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mm -48.97 -59.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.17 -59.39 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -41.45 -56.48 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.5 mt -53.66 -56.23 19.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -49.81 -45.61 50.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -52.37 -30.87 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' VAL . 76.5 m80 -109.35 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 57.28 159.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -55.37 -20.82 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 59.9 tt0 -47.57 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.5 m -92.48 -36.74 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.82 -68.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 17.5 ttpt -41.67 -65.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.12 -49.17 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.8 mt -54.81 -28.57 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -94.63 -13.34 25.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -111.1 17.14 20.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.91 -54.23 3.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' PHE . 13.8 mt -83.89 -42.29 16.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 4.5 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.785 0.244 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.69 156.38 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.86 47.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -133.7 -43.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -100.1 125.46 39.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -30.04 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -57.62 -41.39 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -74.23 -62.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -44.75 -41.9 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -58.46 -50.82 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.03 -61.07 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.2 t80 -48.77 -47.42 41.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.3 mt -53.46 -42.16 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.9 mt-30 -61.58 -37.0 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.39 -17.5 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.22 -23.81 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.672 ' HE2' HD22 ' A' ' 111' ' ' LEU . 26.6 m-85 -104.81 -54.82 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.7 mm-40 -72.36 -58.85 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.1 -25.07 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 44.8 mttt 53.41 25.86 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 14.4 ttt180 -35.7 -68.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -90.44 51.38 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 16.8 t80 -95.33 96.77 9.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 123' ' ' PRO . 55.8 t -120.99 98.83 47.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.747 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 122' ' ' VAL . 53.1 Cg_endo -69.86 152.15 68.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -30.7 22.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -45.04 -30.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.3 -37.29 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -57.72 -36.46 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mmm -78.5 -41.06 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 62' ' ' ILE . 15.3 tp -45.73 -59.02 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -45.05 -51.61 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.49 -45.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.401 ' CE ' HG23 ' A' ' 72' ' ' ILE . 13.1 mtm -58.61 -55.94 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.8 p -55.53 -28.49 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -34.69 67.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' NE2' ' A' ' 19' ' ' HIS . 95.0 mt -45.33 153.68 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -43.43 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.705 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.1 p-80 -70.6 -12.0 61.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -116.84 37.43 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -92.39 -33.53 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -126.77 174.78 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.99 172.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.447 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 79.8 t80 -97.35 -4.15 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -132.37 -64.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 14.5 p -77.03 2.13 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.6 t70 34.95 51.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -104.86 103.17 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.66 145.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 91.08 47.98 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 54.5 Cg_endo -69.74 114.57 3.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 62' ' ' ILE . 48.6 p -111.2 28.56 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' THR . 13.5 m-85 -150.72 151.79 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 41' ' ' PHE . 19.3 m -139.76 129.17 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' GLY . 50.4 t-20 -81.25 114.9 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.6 mmm -73.03 -32.31 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -65.91 -55.4 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -85.44 -30.72 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 85.33 35.83 11.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -116.51 178.19 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 34' ' ' VAL . 18.6 m-85 -110.85 114.23 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' ' 33' ' ' TYR . 27.1 m -120.09 -176.23 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -69.05 -27.13 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 t -68.83 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' SER . 56.4 m -56.97 -44.33 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.66 ' HA ' HG11 ' A' ' 59' ' ' VAL . 64.7 p -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.4 -31.95 60.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.7 m -70.34 -48.84 54.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 10.4 mt -45.12 -46.97 12.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -49.27 -41.07 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.75 -38.02 28.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.05 171.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.6 t30 -139.72 121.01 9.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.2 Cg_endo -69.82 155.81 93.24 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 -1.819 . . . . 0.0 112.315 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.33 9.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 25.0 m170 -62.16 -178.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -122.76 122.92 39.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.1 m -124.64 153.96 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -152.68 125.64 8.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 64.6 m -53.55 147.9 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 32' ' ' THR . 86.5 mt -84.68 -43.15 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -91.32 -54.14 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.466 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.3 tpt -55.74 -38.8 70.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -116.11 141.75 47.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.06 177.83 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.6 t -129.59 152.67 48.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 31.4 tp60 -36.28 -46.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -51.34 -61.52 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.44 -51.9 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.401 HG23 ' CE ' ' A' ' 14' ' ' MET . 24.1 mm -41.82 -61.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' GLN . 12.5 mm-40 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -39.76 -40.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.9 -34.01 64.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' GLU . 32.9 mt-30 -70.28 -41.68 73.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -62.78 -13.84 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.8 m80 -117.09 -75.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.61 159.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.9 -14.14 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -52.98 -64.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.3 m -89.21 -37.0 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -45.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 36.3 tttt -42.75 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.2 -48.02 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 122' ' ' VAL . 64.4 mt -56.15 -30.08 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.913 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -10.37 36.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -116.17 20.98 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.76 -51.63 12.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.4 mt -85.99 -39.91 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.798 0.249 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -85.83 163.57 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.67 38.08 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -127.12 -28.6 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.65 125.77 30.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 105' ' ' GLN . 53.7 Cg_endo -69.82 -27.01 26.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 104' ' ' PRO . 26.2 mp0 -61.77 -48.15 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -67.99 -59.12 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG12 HD12 ' A' ' 111' ' ' LEU . 92.2 t -46.45 -42.69 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -57.86 -61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.39 -60.52 2.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 1.4 t80 -51.65 -47.92 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 107' ' ' VAL . 13.0 mt -55.83 -50.17 71.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 28.9 mt-30 -56.84 -49.67 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.21 -13.14 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -113.3 -14.86 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -117.95 -54.51 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 18.4 mt-10 -71.91 -59.01 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -74.62 -26.45 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 121' ' ' TYR . 26.2 mtpt 57.65 40.72 26.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.9 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -85.14 51.58 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.42 ' CG ' ' HE2' ' A' ' 118' ' ' LYS . 24.9 t80 -97.34 127.92 43.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 86' ' ' ILE . 76.5 t -151.73 105.2 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.69 65.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.93 11.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.74 -35.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.51 -49.59 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -46.19 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 49.6 mmm -60.5 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -40.51 -61.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -42.75 -49.31 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.85 -42.81 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.41 ' CE ' HG23 ' A' ' 72' ' ' ILE . 19.3 mtm -59.78 -49.54 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 11' ' ' LEU . 65.0 p -62.12 -14.06 33.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.43 -23.9 49.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.766 HD13 ' NE2' ' A' ' 19' ' ' HIS . 55.7 mt -47.62 151.93 1.37 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.6 Cg_endo -69.83 -17.59 37.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.766 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.5 p-80 -98.08 2.14 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -128.29 12.31 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 10.0 mmt85 -66.47 -28.16 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.75 169.31 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -56.67 173.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 9.1 t80 -96.72 -22.14 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -68.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.79 -8.55 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.1 40.71 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -90.62 135.51 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.52 146.51 51.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 56.2 3.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 119.59 6.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 71.4 p -111.6 27.89 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -150.64 156.36 41.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.14 134.92 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -84.79 115.33 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmt -73.35 -29.07 62.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -75.42 -57.68 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -77.49 -30.17 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 34.62 23.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 p -118.55 179.17 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -108.52 118.26 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.3 m -121.69 -176.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.63 179.86 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.95 -35.65 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -62.83 -67.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.6 m -56.82 -54.32 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.675 ' HA ' HG11 ' A' ' 59' ' ' VAL . 90.0 p -37.75 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -78.38 -38.8 24.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' CYS . 5.3 t -70.71 -48.59 53.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.919 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD22 ' ND1' ' A' ' 57' ' ' HIS . 13.2 mt -40.15 -38.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 -61.82 -48.98 78.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.07 -31.03 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 15.4 mt -62.9 174.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 17.2 t30 -143.9 121.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.74 156.98 92.47 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.472 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.0 m170 -61.69 -175.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -125.98 113.9 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -119.29 139.12 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -138.71 121.03 15.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 12.0 m -48.64 154.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 11' ' ' LEU . 74.5 mt -90.11 -32.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -100.98 -51.53 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.432 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 19.6 mtm -59.06 -38.04 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 m -110.74 144.15 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -88.92 -177.4 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -147.62 -176.42 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 71' ' ' GLU . 6.3 t -140.34 162.25 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -48.83 -46.09 41.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -55.52 -62.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 68' ' ' THR . 69.7 mm-40 -49.22 -53.15 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' CE ' ' A' ' 14' ' ' MET . 43.7 mm -49.23 -42.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.97 -51.91 65.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 3.4 t80 -53.75 -48.75 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.2 -47.54 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.35 -47.7 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -52.48 -32.16 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -99.99 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.82 162.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -63.87 -12.91 40.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.09 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.4 m -92.98 -36.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -45.45 -67.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 tttt -41.52 -65.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLY . 30.1 mt-30 -44.9 -52.12 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -52.46 -27.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.883 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -95.85 -14.07 23.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -112.27 3.13 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -37.73 -32.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 90' ' ' LEU . 10.3 mt -111.87 -12.67 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.497 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 33.2 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.804 0.252 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.68 167.85 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -119.92 -37.37 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -49.57 -30.77 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -110.32 119.08 47.84 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.574 0.702 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -36.11 11.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -52.19 -48.33 65.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.8 -60.75 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -45.06 -43.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -48.45 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -43.82 -45.63 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.99 -39.89 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 116' ' ' GLU . 81.4 mt-30 -59.4 -52.14 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -54.48 -14.39 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 115' ' ' TYR . 13.7 ttmt -100.87 -33.85 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 17.7 m-85 -112.47 -55.94 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.5 tm-20 -55.48 -56.22 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -26.58 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 121' ' ' TYR . 3.5 mtmp? 56.57 54.13 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -64.48 -67.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.497 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.9 m-90 -86.83 49.75 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 118' ' ' LYS . 12.2 t80 -94.36 92.78 7.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.6 t -117.87 101.15 52.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.83 51.94 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.94 -26.36 62.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.93 -51.37 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.59 -44.79 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 mmm -68.29 -38.95 82.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 62' ' ' ILE . 7.0 tt -45.57 -42.96 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -61.76 -48.65 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -42.38 -39.9 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 39.1 mtm -65.83 -59.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -47.22 -40.22 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.15 -32.35 56.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.537 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.789 HD13 ' NE2' ' A' ' 19' ' ' HIS . 89.8 mt -50.07 153.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.74 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.789 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.8 p-80 -67.74 -3.62 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.698 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 4.6 m120 -108.67 -28.14 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 26.7 mmm180 -36.3 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASN . 12.5 pttp -132.27 168.58 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.86 -179.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 2.3 t80 -100.23 -23.23 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.648 ' CG ' HD21 ' A' ' 111' ' ' LEU . 47.0 m-20 -113.3 -69.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 16.3 p -71.69 -1.32 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 44.52 34.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.66 100.84 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.9 mtt-85 -45.92 105.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.89 68.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.4 50.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.284 . . . . 0.0 112.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -128.76 12.92 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -147.42 167.93 23.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 41' ' ' PHE . 18.4 m -149.78 125.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -78.02 123.0 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' CE2' ' A' ' 74' ' ' PHE . 9.1 mmt -80.59 -29.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -72.3 -46.01 57.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.99 -23.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 30.85 56.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 p -114.93 178.48 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CG ' ' ND2' ' A' ' 20' ' ' ASN . 10.5 m-85 -109.61 113.66 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 50' ' ' LEU . 24.0 m -117.1 -176.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -116.68 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 t -54.94 -37.76 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 t -66.41 -67.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.6 m -54.96 -23.67 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.467 ' HA ' HG11 ' A' ' 59' ' ' VAL . 1.3 t -69.85 -53.9 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.5 64.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.3 t -83.11 -42.6 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 42' ' ' VAL . 12.6 mt -51.92 -37.99 54.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -67.5 -43.08 81.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.84 -35.61 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 ' HG3' ' A' ' 116' ' ' GLU . 49.6 mt -52.86 166.15 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -132.14 119.17 16.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.9 91.5 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.376 -0.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 118.82 5.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.72 163.93 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.67 141.97 27.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -150.05 125.04 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE2' HG21 ' A' ' 65' ' ' THR . 42.6 mtpt -132.54 140.38 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 45.9 m -53.09 168.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.636 HG23 HD21 ' A' ' 11' ' ' LEU . 69.1 mt -88.82 -53.91 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -102.97 -37.15 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.468 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -61.42 -15.96 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 60' ' ' LYS . 94.9 m -118.54 153.12 34.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 65' ' ' THR . 1.1 m -105.14 120.1 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.55 -179.47 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.7 t -139.58 151.43 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' THR . 15.4 tm0? -34.22 -39.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -54.61 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 52.4 mm-40 -55.76 -55.6 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 76' ' ' GLN . 33.2 mm -38.56 -46.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.33 -46.31 77.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 36' ' ' MET . 39.1 t80 -56.73 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.1 mt -57.1 -59.42 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 72' ' ' ILE . 72.1 mt-30 -52.07 -53.09 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -44.6 -22.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.0 -75.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 56.09 161.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -55.46 -17.28 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 23.8 tt0 -48.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.98 -32.93 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.94 -68.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 18.9 ttpt -41.37 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -44.45 -50.0 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -52.83 -29.78 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.434 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.5 m95 -92.65 -19.62 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 88' ' ' LEU . 5.5 mt -101.88 20.93 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.67 -47.93 17.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.34 -25.65 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.808 0.253 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.96 158.57 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 8.0 m-85 -113.91 40.13 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -125.73 -38.1 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.26 127.86 40.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.41 25.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.14 -52.17 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.03 -54.63 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.22 -36.96 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.6 -53.16 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -59.95 -47.32 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.7 t80 -61.6 -44.91 96.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.648 HD21 ' CG ' ' A' ' 25' ' ' ASP . 12.6 mt -58.8 -45.16 90.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 116' ' ' GLU . 59.6 mt-30 -59.73 -52.6 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 78.9 mm-40 -57.64 -13.0 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 62.6 tttt -92.69 -36.71 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.36 -55.08 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.839 ' HG3' HD22 ' A' ' 53' ' ' LEU . 6.3 mt-10 -52.66 -37.19 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 27.2 mmtp -111.1 -23.49 10.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.8 mttm 54.83 51.71 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -58.46 -70.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.3 m-90 -85.58 38.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.76 110.32 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.27 105.0 9.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.68 0.752 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 151.06 69.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 124' ' ' PRO . 78.0 mm-40 -34.63 -32.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 124' ' ' PRO . 21.0 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.26 -52.73 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -43.21 -49.03 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.528 ' HB2' HG21 ' A' ' 72' ' ' ILE . 8.9 mtt -71.94 -45.93 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -35.16 -47.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' ASP . 19.5 ttp180 -61.07 -48.8 80.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' MET . 22.2 t70 -36.63 -41.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.838 ' HE1' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -66.73 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -47.06 -40.93 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.68 -38.69 53.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.982 HD13 ' NE2' ' A' ' 19' ' ' HIS . 88.9 mt -48.93 151.46 2.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.44 9.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.982 ' NE2' HD13 ' A' ' 17' ' ' LEU . 3.0 p-80 -69.91 -14.09 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 3.8 m120 -93.28 -37.68 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASN . 30.4 mmm180 -37.86 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ASN . 22.4 mmtm -117.61 156.85 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 -179.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -99.17 -39.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.64 -70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 14.3 p -72.51 -3.02 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 45.64 36.55 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 tp-100 -80.04 130.94 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -69.86 111.71 5.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.94 65.78 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.98 31.71 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 9.8 p -122.98 20.38 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 15.8 m-85 -150.64 164.94 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.0 133.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -82.25 113.82 20.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.8 m -81.62 -51.43 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.7 t -87.04 -30.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.3 28.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -107.87 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.655 ' CG ' ' ND2' ' A' ' 20' ' ' ASN . 13.0 m-85 -109.45 103.45 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.0 m -106.94 176.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.75 175.73 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 14.1 t -55.41 -39.79 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 44' ' ' THR . 73.8 m -63.03 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 72.6 m -51.01 -52.83 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' HG11 ' A' ' 59' ' ' VAL . 99.0 p -40.75 -31.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.4 -37.58 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.7 t -68.63 -49.78 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -44.57 -46.52 10.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -52.7 -43.09 65.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.83 -34.42 29.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 32.9 mt -55.07 171.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.353 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 5.6 t30 -144.62 119.14 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.76 154.95 93.45 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.14 14.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -68.25 -179.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 113.98 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.9 OUTLIER -115.69 143.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.45 126.12 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.477 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 58.5 m -51.06 154.08 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 11' ' ' LEU . 87.2 mt -86.45 -39.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -97.79 -49.13 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 21.1 ttp -61.8 -40.47 95.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -111.5 143.25 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.5 p -98.3 -176.39 3.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -148.55 172.5 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -118.9 162.35 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -46.32 -59.72 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.7 pt20 -45.44 -32.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 71.8 mt-10 -81.1 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.838 HG23 ' HE1' ' A' ' 14' ' ' MET . 25.2 mm -36.37 -66.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -44.3 -59.21 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t80 -42.4 -48.4 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.68 -34.53 77.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.39 -52.6 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -56.48 -13.03 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.591 ' CE1' ' HE3' ' A' ' 77' ' ' LYS . 26.2 m80 -102.78 -75.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.86 161.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -70.6 -6.95 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -58.7 -61.1 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 78' ' ' HIS . 27.8 m -92.52 -35.93 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.0 m -46.85 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.4 ttpp -42.18 -65.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.07 -48.98 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mt -54.01 -32.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 97.7 m95 -90.39 -14.97 31.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -110.12 20.25 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.75 17.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.86 -35.39 12.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.5 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.843 0.268 . . . . 0.0 112.296 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.55 149.92 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.5 40.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -124.64 -13.45 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.98 126.5 23.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.66 31.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -68.82 -44.27 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -72.2 -53.73 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 64.2 t -51.56 -43.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -55.36 -52.32 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.28 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.9 t80 -46.69 -45.35 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 111' ' ' LEU . 12.3 mt -59.62 -40.6 88.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 48.1 mt-30 -58.74 -37.25 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.77 -16.8 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -104.9 -22.75 13.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -106.85 -54.84 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.5 mt-10 -71.88 -55.5 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -81.79 -27.8 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 65.9 mttt 49.57 38.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.8 ptm180 -55.75 -49.82 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 3.2 m-90 -91.16 26.78 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.412 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 24.7 t80 -80.52 123.02 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.23 105.01 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 148.63 65.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.5 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.96 -26.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 124' ' ' PRO . 2.1 tp-100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD11 ' OG1' ' A' ' 66' ' ' THR . 4.8 mp -43.27 -46.5 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' LEU . 19.3 tttp -36.21 -39.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' LEU . 10.1 mtp -77.93 -41.44 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -37.7 -46.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -60.77 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -40.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.544 ' CE ' HG23 ' A' ' 72' ' ' ILE . 1.9 mpp? -72.01 -50.73 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.7 p -54.68 -16.09 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.56 8.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.832 HD13 ' NE2' ' A' ' 19' ' ' HIS . 84.7 mt -41.3 154.04 0.24 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.66 6.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.832 ' NE2' HD13 ' A' ' 17' ' ' LEU . 10.0 p-80 -72.87 -3.92 28.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -124.6 36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -93.6 -33.32 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -124.95 172.39 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.7 t -59.33 172.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -98.59 -22.52 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.15 -61.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.67 5.82 41.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 28.2 m-20 40.16 38.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -82.73 124.36 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -62.92 131.37 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 58.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.97 16.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 62.0 p -118.08 26.22 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.682 ' CE1' HG23 ' A' ' 44' ' ' THR . 16.9 m-85 -150.37 164.05 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -150.26 123.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.32 113.1 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mmt -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 m -73.57 -57.2 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -81.53 -28.54 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.65 31.55 29.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 p -111.83 -179.33 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.26 113.85 26.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 50' ' ' LEU . 28.5 m -121.18 -179.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -113.58 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.682 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.25 -53.56 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -55.46 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.9 m -68.92 -27.02 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -34.72 17.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 51' ' ' ARG . . . -83.32 -30.21 31.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -69.84 -41.34 75.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD11 HG11 ' A' ' 42' ' ' VAL . 21.1 mt -65.73 -46.24 79.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' CD ' ' HA2' ' A' ' 48' ' ' GLY . 22.9 ptt180 -68.9 -14.75 63.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.47 -28.21 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.54 -176.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.9 t30 -144.46 119.92 6.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.5 Cg_endo -69.73 156.76 92.56 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.387 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.24 18.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -71.13 -176.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -122.21 112.39 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.51 136.32 52.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -135.82 125.11 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 70.8 m -49.21 154.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.43 -32.75 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 t -102.81 -50.59 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.41 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 33.2 mtt -60.99 -42.42 98.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -108.08 137.06 46.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.58 ' OG1' HD11 ' A' ' 8' ' ' LEU . 7.5 t -91.53 174.57 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -138.14 -175.8 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLN . 3.6 t -133.04 156.8 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' THR . 29.3 tp60 -35.83 -58.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -43.69 -67.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -46.74 -53.31 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.544 HG23 ' CE ' ' A' ' 14' ' ' MET . 45.9 mm -42.98 -56.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.79 -47.2 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 5.2 t80 -51.35 -37.61 48.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.25 -63.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 36.5 mt-30 -48.03 -46.72 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -47.76 -33.97 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 82' ' ' VAL . 48.0 m80 -104.93 -74.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 162.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -59.26 -14.62 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -50.96 -63.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.8 m -93.32 -39.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' N ' HG23 ' A' ' 82' ' ' VAL . 3.5 m -41.51 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.3 tttm -39.78 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -44.45 -50.78 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -52.04 -29.14 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.888 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.58 -14.0 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.888 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -114.03 18.41 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.96 -50.82 7.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.6 mt -84.52 -43.55 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.6 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.769 0.237 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.06 158.79 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.7 m-85 -111.31 -26.38 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.4 -25.25 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.22 115.14 40.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.3 11.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -88.05 -41.73 12.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -72.84 -30.19 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.0 -43.01 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.35 -57.24 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.7 pt-20 -49.66 -38.23 31.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -71.87 -45.72 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.15 -32.95 50.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.5 mt-30 -65.58 -41.43 92.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.16 -14.66 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 88' ' ' LEU . 23.8 ttmt -106.72 -26.09 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.7 -53.39 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -71.18 -59.09 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -78.47 -22.66 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 61.2 mttt 52.07 28.15 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' LYS . 7.5 ttt85 -35.42 -66.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -95.8 56.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.545 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 11.8 t80 -97.76 99.31 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.32 99.91 36.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 157.82 59.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.733 2.288 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.79 -40.95 4.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.5 pt-20 -37.3 -32.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 124' ' ' PRO . 71.1 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 8' ' ' LEU . 1.6 mm? -72.81 -33.62 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -40.94 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 72' ' ' ILE . 3.5 mmt -74.74 -27.16 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.57 -40.1 96.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -63.85 -43.1 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.29 -37.53 16.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.7 mtm -71.83 -55.62 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.6 p -45.7 -29.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -67.03 -44.94 87.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 ' NE2' ' A' ' 19' ' ' HIS . 67.8 mt -37.54 144.06 0.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -30.04 23.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.91 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.4 p-80 -78.37 4.58 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' LYS . 37.4 m-20 -125.87 -24.28 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 5.2 mmm180 -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -122.12 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.25 177.27 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 22.4 t80 -106.83 -17.23 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -58.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 24.5 p -94.42 12.46 27.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 t70 40.16 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tp-100 -67.55 130.07 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 120.02 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.24 63.91 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.77 52.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -133.23 20.75 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.717 ' HB3' HG23 ' A' ' 42' ' ' VAL . 21.9 m-85 -150.82 163.92 37.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.66 126.24 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -76.46 109.64 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -68.46 -27.45 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -75.44 -61.03 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.436 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 17.0 t -75.52 -27.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 32.13 36.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 171.54 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -98.82 117.95 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.717 HG23 ' HB3' ' A' ' 33' ' ' TYR . 15.3 m -119.29 -176.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 p -119.87 179.61 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.496 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 11.2 t -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 t -71.55 -36.51 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.3 m -84.34 -34.1 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.603 ' HA ' HG11 ' A' ' 59' ' ' VAL . 71.0 p -50.45 -39.42 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 -35.08 37.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -66.95 -54.71 19.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 42' ' ' VAL . 32.6 mt -41.97 -48.79 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -54.06 -37.67 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.76 35.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.63 178.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 39.2 t30 -148.47 121.45 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.75 154.13 93.15 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.34 -0.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.66 9.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -67.48 167.34 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -101.11 114.85 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.603 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -115.17 148.09 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -150.62 146.79 26.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 65' ' ' THR . 9.7 p -64.48 170.47 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.5 mt -92.65 -51.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.9 m -100.54 -43.56 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.502 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -54.67 -14.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 61' ' ' SER . 1.3 t -133.02 142.18 48.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -99.52 130.99 45.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 65' ' ' THR . 81.6 m-85 -105.56 148.49 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -92.73 166.07 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -39.79 -67.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -44.44 -52.9 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -52.72 -45.23 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 10' ' ' MET . 30.0 mm -63.68 -60.59 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.28 -54.63 10.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -44.85 -50.06 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.3 -62.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.14 -54.0 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -45.91 -28.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.466 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.1 m80 -106.29 -75.22 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.81 163.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.34 -18.57 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.63 -64.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.8 m -92.6 -39.64 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.3 m -41.79 -66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 10.9 ttmm -42.6 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -44.79 -45.75 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' VAL . 82.7 mt -57.46 -30.62 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.808 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -93.24 -8.77 41.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.808 HD23 ' C ' ' A' ' 87' ' ' TRP . 2.3 mt -113.36 11.51 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -34.38 -56.23 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.3 -46.61 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.816 0.257 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.09 148.41 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 3.5 m-85 -98.8 -42.12 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -38.99 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' PHE . 45.2 m-20 -121.87 137.94 27.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -43.77 -49.65 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -56.37 -50.96 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.87 -33.11 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -69.97 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -40.98 -34.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.9 t80 -84.94 -46.04 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 115' ' ' TYR . 13.4 mt -55.37 -26.71 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.3 mt-30 -72.05 -46.39 57.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -66.98 -11.95 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -106.5 -19.0 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.732 ' CE2' HD22 ' A' ' 111' ' ' LEU . 15.5 m-85 -117.44 -51.1 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.4 mm-40 -72.92 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.19 -28.35 42.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt 55.9 38.56 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -47.61 -66.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.62 57.02 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -103.57 122.83 45.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' ILE . 47.3 t -148.69 105.12 3.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 147.97 63.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -31.52 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 124' ' ' PRO . 54.5 mm-40 -37.44 -28.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.495 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.867 HD21 HG23 ' A' ' 66' ' ' THR . 3.6 mm? -43.3 -45.93 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' MET . 25.5 tptt -72.68 -47.97 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.66 ' SD ' HG21 ' A' ' 72' ' ' ILE . 21.9 mtp -35.94 -53.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 62' ' ' ILE . 12.7 mt -36.39 -49.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -47.92 -44.43 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' MET . 8.8 t70 -56.72 -45.15 82.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.2 mtm -59.89 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -44.96 -38.17 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -55.66 -45.33 85.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.887 HD13 ' NE2' ' A' ' 19' ' ' HIS . 82.3 mt -37.91 150.1 0.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.39 4.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.887 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.3 p-80 -67.43 -4.31 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' LYS . 25.3 m-20 -114.08 -20.18 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -43.32 -23.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -138.16 154.86 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.57 179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 13.8 t80 -96.75 -36.68 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.89 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -98.02 -70.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.87 -0.79 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 46.11 29.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -64.75 119.68 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.55 87.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.37 71.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.88 48.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.686 HG23 ' HD1' ' A' ' 33' ' ' TYR . 2.8 t -133.47 17.41 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.686 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.3 m-85 -151.04 170.92 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 60' ' ' LYS . 14.6 m -140.76 135.56 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 50' ' ' LEU . 18.9 t-20 -92.35 63.19 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 3.5 mmt -34.23 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ASN . 23.9 m -56.6 -51.79 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG1' ' HE1' ' A' ' 87' ' ' TRP . 45.5 t -93.21 -40.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.96 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -113.3 -178.95 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.26 119.3 39.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.1 m -118.35 175.76 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 p -112.62 -179.19 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -60.51 -43.4 97.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -57.84 -67.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 49' ' ' SER . 78.0 m -49.79 -54.12 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.6 ' HA ' HG11 ' A' ' 59' ' ' VAL . 24.6 p -34.78 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -76.78 -43.57 17.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' CYS . 11.9 t -59.66 -59.01 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' ND2' ' A' ' 35' ' ' ASN . 31.1 mt -46.9 -45.72 20.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -55.71 -31.18 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.9 -28.33 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 45.1 mt -60.62 168.89 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 32.5 t30 -137.46 121.21 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.74 154.22 93.16 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.318 -0.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.12 15.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.8 -176.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -122.97 114.73 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.0 m -118.16 152.66 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' ' CE2' ' A' ' 67' ' ' PHE . 1.1 ptpp? -156.64 145.96 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 68.3 m -62.02 160.72 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 11' ' ' LEU . 36.3 mt -91.57 -40.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -104.04 -32.09 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 26.2 mtp -81.69 15.56 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.4 m -154.2 133.73 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.867 HG23 HD21 ' A' ' 8' ' ' LEU . 36.0 m -83.45 145.33 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 11' ' ' LEU . 33.1 m-85 -123.68 163.93 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 168.7 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.69 -54.69 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -52.61 -38.43 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.85 -58.07 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.66 HG21 ' SD ' ' A' ' 10' ' ' MET . 24.7 mm -42.43 -49.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -57.93 -55.24 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 t80 -44.72 -36.69 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.7 -63.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -47.27 -53.59 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -41.97 -36.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 82' ' ' VAL . 56.9 m80 -104.02 -75.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.58 161.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.94 -16.99 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.325 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.02 -65.92 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 78' ' ' HIS . 23.2 m -89.33 -35.73 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.84 -68.12 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' NZ ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -43.46 -65.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -44.95 -44.86 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.86 -29.74 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.7 m95 -92.64 -11.81 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.85 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -111.54 20.61 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.63 28.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.16 16.77 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 13.7 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.536 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 166.31 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.14 -36.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -51.48 -34.03 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -105.67 125.82 32.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -42.9 3.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -47.1 -55.0 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -53.34 -56.63 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.441 HG12 HD12 ' A' ' 111' ' ' LEU . 97.7 t -50.41 -55.66 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -38.45 -51.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.55 -65.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.9 t80 -45.3 -41.01 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.89 HD21 ' OD1' ' A' ' 25' ' ' ASP . 16.7 mt -61.77 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 44.2 mt-30 -58.14 -58.15 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -56.54 -13.17 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -95.51 -34.18 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -118.01 -55.94 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -53.68 -39.93 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -106.55 -28.05 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp 59.57 48.12 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -56.07 -72.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.5 m-90 -84.54 48.23 1.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -93.55 124.48 37.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.36 105.01 2.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.734 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.67 68.6 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.4 Cg_endo -69.73 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.4 pt-20 -35.1 -36.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 -52.39 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -41.95 -57.15 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ASP . 14.8 mtt -65.03 -39.24 93.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.859 HD11 HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -36.1 -57.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -61.65 -39.08 90.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' MET . 4.4 t70 -45.52 -50.41 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.465 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 3.0 mpp? -58.48 -59.77 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.8 p -48.02 -38.0 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.83 64.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.987 HD13 ' NE2' ' A' ' 19' ' ' HIS . 77.6 mt -48.3 150.83 2.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.78 -36.19 11.19 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.987 ' NE2' HD13 ' A' ' 17' ' ' LEU . 6.5 p-80 -75.34 -10.88 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.694 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 4.0 m120 -97.93 -29.94 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 55.8 mmm-85 -36.98 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -130.4 161.79 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.57 179.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -98.48 -31.39 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' GLN . 27.9 p -84.09 7.08 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER 40.52 25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.1 tp-100 -59.6 119.05 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.46 78.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.38 70.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.98 52.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 p -133.85 15.17 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' HB3' HG23 ' A' ' 42' ' ' VAL . 12.0 m-85 -151.11 167.6 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 60' ' ' LYS . 13.4 m -137.56 143.87 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 38' ' ' VAL . 48.6 t30 -103.53 90.23 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.17 -46.32 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -49.62 -37.97 30.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 35' ' ' ASN . 5.0 t -118.85 19.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.4 34.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -105.67 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CG ' ' ND2' ' A' ' 20' ' ' ASN . 21.6 m-85 -116.95 110.22 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 50' ' ' LEU . 27.0 m -111.91 -175.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.11 178.92 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -53.89 -48.94 69.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.7 t -59.18 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' SER . 85.1 m -52.42 -59.06 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.6 p -34.91 -47.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 -35.76 58.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' CYS . 64.0 m -61.45 -46.15 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD11 HG11 ' A' ' 42' ' ' VAL . 17.0 mt -53.75 -31.62 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -57.53 -49.57 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.53 -33.68 12.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 75.7 mt -55.55 166.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 63.1 t-20 -137.94 119.99 10.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.66 0.743 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.72 156.52 92.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.345 -0.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 116.55 4.62 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.23 -178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -122.0 130.41 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.3 OUTLIER -132.58 150.09 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.701 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.4 ptmt -148.75 122.44 9.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 1.6 t -43.63 158.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.859 HG23 HD11 ' A' ' 11' ' ' LEU . 77.3 mt -90.95 -34.49 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -103.69 -49.13 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 3.0 mtt -57.17 -35.85 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.514 HG21 ' HE3' ' A' ' 60' ' ' LYS . 8.1 m -108.04 136.75 47.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -84.57 151.09 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 4.5 m-85 -122.91 162.45 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -123.85 156.33 36.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' THR . 55.9 tp60 -36.42 -61.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -38.82 -61.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.65 -49.4 65.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.7 mm -44.96 -53.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.22 -38.28 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.29 -45.88 91.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.84 -57.49 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 7.6 mt-30 -54.63 -44.19 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.16 -34.45 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 82' ' ' VAL . 33.1 m80 -98.86 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.66 159.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -66.42 -8.22 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -62.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' HIS . 22.4 m -89.71 -37.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.4 m -46.47 -68.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 ttpt -43.55 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -45.08 -46.56 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.42 -29.01 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.907 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.0 m95 -93.19 -12.68 29.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -112.94 18.82 17.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.69 -31.54 9.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 90' ' ' LEU . 12.7 mt -107.69 -34.09 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.758 0.232 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.73 124.61 47.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 1.4 m-85 -74.6 -0.79 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 1.8 mpt_? -95.76 21.85 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.4 129.12 3.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.31 31.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -76.95 -37.89 54.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -76.68 -38.73 53.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 101' ' ' PHE . 77.2 t -74.91 -46.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -64.51 -54.2 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -52.49 -38.96 60.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.519 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.8 t80 -74.69 -43.79 53.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.59 -34.52 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLU . 41.2 mt-30 -66.03 -40.88 91.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.73 -14.75 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -110.76 -23.38 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.26 -52.66 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' GLN . 12.2 mm-40 -76.4 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -21.04 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt 46.28 37.29 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -45.83 -69.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' TRP . 1.2 m-90 -88.02 58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.67 113.18 26.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.73 108.47 9.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.01 66.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -44.06 2.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -53.66 -16.13 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 66' ' ' THR . 3.7 mm? -53.56 -48.4 69.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -61.36 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASP . 63.6 mmm -59.74 -42.75 93.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -38.05 -47.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -58.61 -42.17 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' MET . 10.8 t70 -45.15 -52.42 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.582 ' HE1' HD12 ' A' ' 72' ' ' ILE . 2.1 mpp? -57.16 -65.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.6 p -44.99 -30.49 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.14 -49.76 75.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD13 ' NE2' ' A' ' 19' ' ' HIS . 15.2 mt -40.62 149.76 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.69 10.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.602 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -72.13 1.38 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . 42.2 m-20 -114.28 -33.61 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -37.24 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ASN . 79.0 mttt -122.01 178.68 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 1.8 t -71.49 174.92 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 3.9 t80 -105.05 -22.45 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.863 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -102.31 -62.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 p -93.66 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 38.4 m-20 49.31 26.08 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.34 148.75 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -90.38 98.62 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.37 68.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.96 36.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.7 p -130.4 19.06 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 13.5 m-85 -146.92 170.03 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.507 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 16.0 m -146.84 129.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.648 ' ND2' HG23 ' A' ' 38' ' ' VAL . 49.1 t30 -86.25 87.36 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.3 mmt -45.46 -48.13 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.0 m -50.32 -34.69 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG23 ' ND2' ' A' ' 35' ' ' ASN . 2.5 t -120.34 19.09 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 35.14 35.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 87.8 p -104.18 179.93 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 9.1 m-85 -117.6 108.53 15.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -112.64 -177.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 p -113.67 176.04 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.53 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 m -61.97 -31.7 72.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -68.44 -39.61 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -76.0 -36.23 59.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.6 p -44.29 -35.9 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.37 -34.98 30.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -69.0 -56.52 7.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 42' ' ' VAL . 26.1 mt -47.74 -49.34 28.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -58.63 -36.59 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.43 -28.17 59.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 38.5 mt -63.68 171.56 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 28.3 t30 -137.96 121.22 11.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.73 157.85 91.53 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.746 -1.772 . . . . 0.0 112.336 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -62.59 -176.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -119.58 125.83 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 154.26 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.534 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -154.76 136.72 14.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -55.52 147.14 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.519 ' CG2' HD11 ' A' ' 11' ' ' LEU . 70.4 mt -82.83 -38.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.165 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -99.53 -49.55 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 ttt -56.38 -37.66 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -107.78 131.07 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.442 ' CG2' HD21 ' A' ' 8' ' ' LEU . 1.3 m -82.87 149.2 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 2.3 m-85 -116.3 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -128.44 149.79 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' THR . 13.7 tm0? -34.42 -47.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -50.87 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 68' ' ' THR . 43.2 mt-10 -57.44 -44.42 84.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.887 HG22 ' NE2' ' A' ' 76' ' ' GLN . 38.7 mm -47.43 -52.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -51.9 -45.0 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -55.75 -56.5 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.4 -60.5 3.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.887 ' NE2' HG22 ' A' ' 72' ' ' ILE . 36.0 mt-30 -50.88 -44.39 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.32 -33.77 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.0 m80 -102.44 -75.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.82 158.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.42 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -65.04 -9.64 23.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 37.7 tt0 -55.22 -65.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 83' ' ' CYS . 34.9 m -88.78 -41.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.1 m -42.16 -68.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.5 ttpp -41.03 -66.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.7 -48.34 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 122' ' ' VAL . 59.4 mt -54.9 -30.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.879 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -15.71 26.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.879 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.76 24.16 13.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -53.55 -48.72 59.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 mt -86.62 -34.98 19.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.403 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 25.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.834 0.264 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.95 176.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.75 37.19 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -127.07 -36.15 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -100.99 130.66 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.94 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -64.89 -46.9 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -65.54 -47.1 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.4 -41.51 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -62.91 -59.85 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -48.46 -41.96 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 t80 -69.8 -43.68 71.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 25' ' ' ASP . 13.7 mt -58.76 -33.19 70.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 25.8 mt-30 -63.46 -38.21 90.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.01 -13.04 62.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' NZ ' HD23 ' A' ' 111' ' ' LEU . 2.9 ttpm? -113.66 -11.14 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.01 -50.41 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLN . 9.4 mt-10 -81.89 -58.84 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -71.5 -26.52 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 55.59 39.61 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -50.8 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 2.6 m-90 -88.04 51.5 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.45 122.87 37.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 86' ' ' ILE . 90.2 t -149.83 105.23 3.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.74 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.7 66.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.2 Cg_endo -69.74 -36.77 10.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.388 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 124' ' ' PRO . 17.0 mt-10 -35.37 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 124' ' ' PRO . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 66' ' ' THR . 2.9 mm? -61.99 -55.51 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.857 0.36 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.76 -35.95 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 83.8 mtp -76.07 -27.69 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 62' ' ' ILE . 2.5 tm? -60.92 -62.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -46.9 -37.1 8.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.23 -35.98 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.437 ' CE ' HG23 ' A' ' 72' ' ' ILE . 20.6 mtm -65.98 -57.54 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 p -55.89 -25.94 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -33.22 86.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -47.75 153.14 1.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.616 0.722 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -44.3 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.752 2.301 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -72.29 1.05 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -127.21 39.04 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.19 -21.34 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -127.99 163.33 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.64 175.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -102.75 -22.21 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.753 ' OD1' HD21 ' A' ' 111' ' ' LEU . 5.7 m-20 -108.17 -66.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASP . 15.1 p -84.97 9.92 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t0 35.47 38.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 28.3 tt0 -76.35 145.18 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.59 110.72 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.52 66.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.97 29.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 57.1 p -128.83 25.26 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.469 ' HB3' HG23 ' A' ' 42' ' ' VAL . 11.7 m-85 -150.91 158.69 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.72 124.53 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.8 t-20 -83.67 109.73 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mmt -65.12 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -110.4 13.53 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 34.46 36.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 65.7 p -110.56 177.43 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.39 113.23 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 33' ' ' TYR . 19.3 m -123.35 -175.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.3 p -118.16 -177.98 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -62.67 -61.01 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -38.64 -51.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -71.31 -46.06 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.63 ' HA ' HG11 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -47.94 -40.28 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -32.63 66.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.0 p -76.81 -37.9 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.385 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.42 -35.06 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -65.59 -11.69 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.72 -38.49 23.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 72.5 mt -52.66 172.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -144.44 119.39 5.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 152.84 92.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.379 -0.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 135.96 31.8 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -75.81 178.85 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -112.06 113.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.4 m -120.56 120.69 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -123.48 127.55 48.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -43.73 155.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.445 HG23 HD11 ' A' ' 11' ' ' LEU . 30.7 mt -89.53 -40.23 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t -102.45 -51.89 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.412 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 10.8 tpt -55.11 -27.94 48.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -118.48 135.93 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 8' ' ' LEU . 28.7 m -91.69 159.14 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' N ' HG22 ' A' ' 66' ' ' THR . 89.2 m-85 -124.17 176.83 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.92 151.64 51.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -42.06 -37.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.35 -53.67 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG23 ' CE ' ' A' ' 14' ' ' MET . 32.5 mm -42.14 -66.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -41.82 -56.12 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -49.62 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.47 -53.27 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -45.25 -32.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 15.7 m80 -96.49 -75.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.63 158.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -65.22 -10.58 32.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.88 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.14 -35.68 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -45.66 -68.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.1 ttpp -40.81 -66.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -44.99 -50.74 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.36 -28.48 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.423 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.26 -19.06 21.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 mt -101.68 14.04 33.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -33.39 -41.99 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 119' ' ' ARG . 20.4 mt -100.98 -48.7 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 9.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.798 0.249 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.58 171.16 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -122.56 -33.17 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.62 -29.51 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -112.39 128.69 25.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -40.81 4.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -47.9 -50.28 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -56.77 -55.45 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.48 -44.49 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.05 -66.89 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.19 -61.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 6.1 t80 -44.83 -47.86 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' OD1' ' A' ' 25' ' ' ASP . 19.3 mt -59.92 -30.64 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.9 mt-30 -73.22 -44.08 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.39 -12.77 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -103.75 -24.72 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.6 ' HE2' HD22 ' A' ' 111' ' ' LEU . 25.3 m-85 -111.84 -54.28 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' GLN . 33.0 mm-40 -68.3 -58.35 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -27.52 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 47.0 49.02 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.473 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 8.0 ptm180 -66.84 -51.88 50.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.53 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.3 m-90 -84.8 8.23 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -65.88 130.77 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.5 t -153.36 109.38 2.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.66 60.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.75 19.82 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -50.88 -26.52 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.5 mm? -48.15 -57.5 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -41.16 -38.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.477 ' HE1' ' HG2' ' A' ' 69' ' ' GLN . 36.5 mtm -80.84 -33.94 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -55.4 -46.84 76.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -53.78 -56.91 13.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -43.97 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 mtm -58.96 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -51.89 -18.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' NE ' ' A' ' 21' ' ' ARG . . . -78.94 -29.8 49.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD13 ' NE2' ' A' ' 19' ' ' HIS . 66.5 mt -38.35 144.55 0.38 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -11.98 31.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.49 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.2 p-80 -104.05 2.65 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 17' ' ' LEU . 83.6 m-20 -120.74 -18.11 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mmt180 -35.16 -36.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASN . 30.5 mtmt -117.65 178.49 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.21 179.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -92.55 -43.37 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.564 ' CG ' HD11 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -96.19 -66.89 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 12.4 p -75.11 1.64 12.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 37.83 35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.4 tp60 -68.3 139.12 55.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -74.57 113.72 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.43 68.73 0.81 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.29 39.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -129.22 20.66 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.792 ' HB3' HG23 ' A' ' 42' ' ' VAL . 22.1 m-85 -147.86 161.32 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.8 m -143.83 121.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.606 ' ND2' HD13 ' A' ' 50' ' ' LEU . 22.0 t-20 -76.4 63.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 75' ' ' LEU . 81.5 mmm -33.75 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' ASN . 22.3 m -55.32 -53.27 58.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.35 -40.97 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.48 27.93 4.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 p -118.77 179.97 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -109.3 119.57 39.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.5 m -119.37 -176.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.75 179.79 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 15.1 t -60.45 -34.62 74.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -67.05 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.5 m -53.17 -47.74 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.534 ' HA ' HG11 ' A' ' 59' ' ' VAL . 49.8 p -44.37 -32.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.33 -28.59 43.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.2 t -76.99 -45.28 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.606 HD13 ' ND2' ' A' ' 35' ' ' ASN . 51.7 mt -52.6 -39.99 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.69 -32.35 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.58 -34.46 86.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 16.2 mt -57.07 173.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 18.8 t-20 -143.47 119.89 6.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.71 157.16 92.22 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.334 -0.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.43 47.89 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -86.77 178.4 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.8 tpt85 -110.32 140.68 44.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -148.25 133.48 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -136.1 121.52 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -44.66 151.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.6 mt -87.92 -31.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -98.66 -54.95 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 29.6 tpp -57.46 -38.95 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.2 m -112.22 132.23 55.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.423 HG23 HD21 ' A' ' 8' ' ' LEU . 23.5 m -94.26 154.66 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 66' ' ' THR . 27.1 m-85 -114.86 -175.53 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 t -131.71 153.35 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' HG2' ' HE1' ' A' ' 10' ' ' MET . 0.4 OUTLIER -38.53 -53.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.95 -60.77 2.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -53.91 -57.14 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.49 HG22 ' CD ' ' A' ' 76' ' ' GLN . 3.8 mm -36.97 -48.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.1 -47.27 85.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 t80 -57.04 -25.78 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 36' ' ' MET . 22.5 mt -89.54 -41.37 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' CD ' HG22 ' A' ' 72' ' ' ILE . 85.0 mt-30 -65.61 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -64.44 -23.78 67.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' VAL . 34.3 m80 -106.01 -75.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 163.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.84 -13.86 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 29.4 tt0 -50.97 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.7 m -93.42 -37.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -44.06 -68.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.4 ttpt -39.62 -66.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.6 -50.6 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.3 mt -52.07 -28.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.437 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.3 m95 -94.29 -17.2 22.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 114' ' ' LYS . 6.4 mt -104.4 15.35 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -31.97 -44.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.52 -43.11 6.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 2.6 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.796 0.248 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.71 171.58 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 6.6 m-85 -124.62 -23.04 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.65 -14.85 61.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 108.11 40.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.89 -46.36 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.35 -50.07 49.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 111' ' ' LEU . 74.1 t -47.27 -42.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -53.42 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.82 -55.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -55.03 -43.17 73.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.564 HD11 ' CG ' ' A' ' 25' ' ' ASP . 13.2 mt -63.45 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 95.9 mt-30 -65.84 -38.36 88.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 16.2 mt-10 -65.04 -15.79 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -103.18 -24.24 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -107.94 -54.67 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 24.9 mm-40 -71.03 -56.89 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 5.7 mmmm -80.93 -25.84 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.3 mttt 45.42 42.39 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.552 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.0 ptm180 -61.91 -40.23 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.552 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 4.9 m-90 -97.12 22.93 7.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 122' ' ' VAL . 26.1 t80 -77.0 131.21 38.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 121' ' ' TYR . 53.6 t -159.09 105.02 1.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.5 68.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -40.47 5.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 124' ' ' PRO . 4.2 mp0 -35.72 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 124' ' ' PRO . 19.1 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.679 HD11 ' OG1' ' A' ' 66' ' ' THR . 3.6 mp -46.61 -44.67 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -42.11 -35.74 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LEU . 33.7 mtp -84.88 -47.39 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD12 ' CE ' ' A' ' 14' ' ' MET . 12.3 tp -37.0 -42.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -57.03 -56.38 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.57 -32.19 66.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.753 ' SD ' HG23 ' A' ' 72' ' ' ILE . 27.3 mtp -63.24 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.5 ' CG2' HG21 ' A' ' 62' ' ' ILE . 58.9 p -69.26 -12.11 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -92.78 -34.11 7.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.823 HD13 ' NE2' ' A' ' 19' ' ' HIS . 81.1 mt -35.87 153.65 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.7 2.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.823 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.0 p-80 -70.0 -9.57 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -118.29 34.86 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -90.66 -27.69 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -125.4 176.45 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' GLN . 2.2 t -71.73 174.02 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -94.74 -30.2 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' OD1' HD21 ' A' ' 111' ' ' LEU . 1.4 m-20 -102.47 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.76 8.24 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.569 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 m-20 38.82 33.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' CYS . 17.2 tt0 -75.64 144.03 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 2.4 tmm_? -83.14 134.44 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 93.66 53.71 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 53.9 Cg_endo -69.76 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.3 t -108.29 28.31 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.712 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.0 m-85 -149.43 159.15 44.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.97 132.61 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' GLY . 37.8 t-20 -82.93 114.68 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.89 -24.98 55.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -76.76 -45.92 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.8 -31.33 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 86.71 26.24 32.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.2 p -107.08 175.92 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -110.96 109.68 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -112.73 -177.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.7 p -115.64 177.12 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -57.68 -37.17 72.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.5 t -63.96 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' SER . 82.7 m -57.36 -51.8 67.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 59' ' ' VAL . 93.7 p -41.74 -28.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.8 -32.86 20.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -72.69 -47.55 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -48.53 -33.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -65.35 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.55 -31.47 74.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 112' ' ' GLN . 34.2 mt -58.21 171.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.429 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 57.6 t30 -138.03 120.31 10.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.73 157.62 91.79 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.332 -0.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.78 6.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -63.47 178.44 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -119.87 127.42 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 47' ' ' SER . 2.2 m -133.98 154.51 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -148.51 152.46 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 47.0 m -76.08 138.83 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG21 ' CG2' ' A' ' 15' ' ' THR . 17.7 mt -80.54 -28.37 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -104.05 -55.17 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.48 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 7.3 ttp -58.99 -34.59 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.3 m -118.34 138.04 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.679 ' OG1' HD11 ' A' ' 8' ' ' LEU . 8.5 t -83.18 -177.03 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.403 ' N ' ' OG1' ' A' ' 66' ' ' THR . 38.4 m-85 -144.02 -177.05 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.1 t -134.03 142.76 47.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -34.05 -49.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -50.71 -46.07 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 68' ' ' THR . 6.2 mm-40 -65.02 -61.09 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.753 HG23 ' SD ' ' A' ' 14' ' ' MET . 1.4 mp -35.97 -64.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -46.69 -52.4 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.27 -26.83 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.36 -51.62 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.91 -49.8 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -52.78 -27.2 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.4 m80 -101.43 -75.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.77 162.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -63.66 -10.8 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -53.83 -64.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.7 m -93.16 -33.23 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -47.2 -68.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -41.3 -65.81 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -45.18 -50.1 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.76 -31.07 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.798 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -92.14 -14.27 29.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.5 mt -109.67 25.24 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.37 -47.62 68.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.52 14.97 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.759 0.233 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.38 162.99 14.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.1 m-85 -115.19 42.97 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -130.36 -38.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.95 117.4 64.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.67 31.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -76.82 -57.73 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.08 -41.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -58.74 -48.63 80.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -57.92 -53.46 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -56.96 -45.59 82.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD21 ' OD1' ' A' ' 25' ' ' ASP . 15.0 mt -58.38 -37.01 74.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.694 ' HG2' HD22 ' A' ' 53' ' ' LEU . 64.6 mt-30 -61.71 -43.19 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.02 -12.62 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 13.8 ttmt -98.23 -29.09 13.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.479 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 6.9 m-85 -118.08 -56.15 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 112' ' ' GLN . 11.0 mt-10 -58.36 -35.0 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -111.5 -19.89 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HD3' ' CG ' ' A' ' 121' ' ' TYR . 31.9 mttt 48.25 49.11 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.12 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -87.01 45.58 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.509 ' CG ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t80 -89.75 106.63 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.61 102.66 12.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 154.79 67.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -38.6 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -38.8 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' PRO . 16.6 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 8' ' ' LEU . 3.9 mm? -46.05 -51.38 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -44.23 -59.51 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.74 -47.69 85.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 62' ' ' ILE . 19.5 tp -40.28 -56.7 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -48.81 -44.46 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -46.1 -46.07 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mpp? -62.84 -58.61 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -43.41 -33.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -63.93 -46.03 92.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.577 HD12 HD22 ' A' ' 20' ' ' ASN . 71.6 mt -37.81 153.8 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.5 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 17' ' ' LEU . 23.5 p-80 -65.04 -10.44 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.577 HD22 HD12 ' A' ' 17' ' ' LEU . 81.7 m-20 -116.97 34.02 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 21.8 mmm180 -87.96 -39.63 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -123.89 -176.72 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.18 175.74 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.5 t80 -96.36 -24.61 16.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -106.73 -70.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.27 -5.9 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' HB2' ' A' ' 22' ' ' LYS . 2.5 m-20 45.77 44.58 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.97 103.37 13.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -43.78 125.32 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 61.02 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.13 59.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.778 HG23 ' HD1' ' A' ' 33' ' ' TYR . 5.3 t -131.62 19.0 4.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.778 ' HD1' HG23 ' A' ' 32' ' ' THR . 29.4 m-85 -148.41 160.09 43.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.44 118.49 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.626 ' ND2' HG23 ' A' ' 38' ' ' VAL . 36.7 t30 -72.58 101.15 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.3 mmt -56.1 -46.0 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 m -50.36 -47.98 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.626 HG23 ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -105.99 17.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.46 37.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.6 p -108.07 177.34 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.05 114.47 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 33' ' ' TYR . 28.8 m -120.04 177.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.11 177.79 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -60.95 -34.85 75.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -64.73 -67.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' SER . 39.5 m -57.76 -52.56 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.622 ' HA ' HG11 ' A' ' 59' ' ' VAL . 66.7 p -35.55 -44.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.17 -39.39 83.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -66.97 -52.04 47.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 53' ' ' LEU . 8.5 mt -42.11 -37.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -62.61 -41.52 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.06 -31.67 48.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 50' ' ' LEU . 33.9 mt -51.44 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 11.5 t-20 -137.44 116.09 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.76 159.02 90.39 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.57 28.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.09 -177.04 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -118.35 130.21 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.4 m -134.13 145.17 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -148.57 121.67 8.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -45.57 157.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.918 HG23 HD21 ' A' ' 11' ' ' LEU . 88.0 mt -90.95 -45.09 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -92.22 -50.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.0 tpp -57.95 -37.33 73.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m -112.79 135.94 52.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 t -85.49 169.46 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -134.11 160.64 37.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 t -114.98 161.33 18.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -40.77 -44.92 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.85 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -52.88 -59.78 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.0 mm -38.18 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.78 -42.96 85.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -56.08 -46.37 79.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -57.4 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 37.2 mt-30 -54.68 -41.61 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -53.95 -27.65 32.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -110.12 -75.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.71 158.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -58.52 -18.34 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.97 -64.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' HIS . 28.1 m -92.25 -37.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.43 -68.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.1 ttpt -40.64 -67.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -44.15 -50.68 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.06 -29.54 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 88' ' ' LEU . 94.5 m95 -93.53 -15.39 25.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 87' ' ' TRP . 3.0 mt -111.27 26.06 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.4 -50.11 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.95 -34.89 16.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 6.9 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.19 162.01 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -115.2 33.06 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -117.56 -36.79 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.99 125.12 45.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -17.84 37.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.741 2.294 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.0 -49.16 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 6.2 mmmm -67.23 -44.25 79.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.08 -45.83 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -58.43 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.6 pt-20 -48.68 -41.94 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.5 t80 -66.25 -54.82 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.501 HD21 ' OD1' ' A' ' 25' ' ' ASP . 13.0 mt -52.6 -46.37 66.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 116' ' ' GLU . 82.0 mt-30 -62.13 -44.01 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -62.88 -12.55 25.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.692 ' HE3' HD21 ' A' ' 88' ' ' LEU . 7.6 ttmm -103.03 -24.01 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 15.1 m-85 -116.4 -56.02 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -61.95 -51.46 68.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -91.81 -28.04 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 18.7 mttp 56.15 37.2 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 120' ' ' TRP . 58.9 ttt85 -48.84 -71.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.468 ' CE2' ' HD3' ' A' ' 119' ' ' ARG . 1.8 m-90 -81.9 40.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 28.8 t80 -85.48 121.11 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -145.53 106.34 4.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 148.41 64.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' PRO . 14.9 mm-40 -34.53 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 34.1 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.58 -46.67 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -47.73 -48.1 29.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LEU . 5.1 mtt -53.94 -47.37 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER -37.6 -58.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -43.94 -44.55 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.35 -46.87 73.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.457 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.0 mpp? -60.37 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.5 p -46.83 -37.01 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -52.62 -49.34 53.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.747 HD13 ' NE2' ' A' ' 19' ' ' HIS . 42.4 mt -36.55 151.69 0.11 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.64 21.96 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.747 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.8 p-80 -83.41 -0.69 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 93.4 m-20 -127.25 35.38 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -93.27 -29.76 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -128.12 172.18 11.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.87 174.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.74 -25.51 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.974 ' CG ' HD21 ' A' ' 111' ' ' LEU . 4.8 m-20 -108.57 -68.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ASP . 17.8 p -75.94 5.57 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.7 m-20 35.22 49.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -91.81 119.44 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -57.44 133.53 55.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.43 55.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.84 13.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.757 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.1 t -116.01 25.12 10.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.757 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.1 m-85 -150.91 163.71 38.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.33 124.75 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -74.04 108.75 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -66.82 -30.35 70.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -73.25 -63.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.65 -29.22 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.82 27.73 40.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 p -113.26 -179.69 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 23.0 m-85 -108.07 117.93 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.7 m -120.35 -178.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.0 -178.33 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -67.26 -27.48 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.4 t -70.93 -67.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 60.6 m -55.53 -47.96 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.744 ' HA ' HG11 ' A' ' 59' ' ' VAL . 23.5 p -38.56 -44.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 -34.72 61.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.7 m -70.0 -53.9 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD22 ' ND1' ' A' ' 57' ' ' HIS . 5.0 mt -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -58.97 -41.38 87.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -49.89 -36.21 26.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 116' ' ' GLU . 32.1 mt -57.91 173.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.5 t30 -137.41 121.46 12.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.8 155.74 93.23 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.384 0.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.95 4.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' ND1' HD22 ' A' ' 50' ' ' LEU . 19.8 m170 -63.51 173.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -113.45 128.84 56.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.744 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.4 OUTLIER -131.95 139.88 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -139.09 137.23 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -57.93 152.07 16.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.36 -36.51 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 m -103.26 -47.77 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.57 -37.68 88.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 m -110.98 144.63 39.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -98.45 171.7 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -137.5 166.29 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.594 HG22 ' OE1' ' A' ' 71' ' ' GLU . 2.6 t -108.69 161.9 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.47 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 48.9 tp60 -45.3 -65.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.1 pt20 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.594 ' OE1' HG22 ' A' ' 68' ' ' THR . 70.1 mt-10 -64.24 -54.34 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG23 ' CE ' ' A' ' 14' ' ' MET . 38.2 mm -45.19 -57.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 11.4 mm-40 -53.8 -60.53 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -41.76 -33.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.72 -44.07 34.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.0 -50.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -47.96 -30.25 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.527 ' O ' HG22 ' A' ' 82' ' ' VAL . 29.7 m80 -100.8 -75.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 58.4 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.91 -17.02 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -49.95 -61.96 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.0 m -93.21 -37.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.89 -68.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.7 ttpp -39.8 -66.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -44.59 -51.06 9.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -52.06 -28.4 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.417 ' C ' HD23 ' A' ' 88' ' ' LEU . 96.9 m95 -94.03 -20.2 20.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 6.0 mt -102.33 20.55 16.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.93 -49.44 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.42 -32.4 14.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.758 0.232 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.62 160.8 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.05 -38.44 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -49.24 -35.2 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.9 135.82 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -42.15 -55.68 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -49.63 -44.16 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 111' ' ' LEU . 58.0 t -69.9 -37.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -58.14 -61.77 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -48.3 -56.11 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.1 t80 -57.56 -39.52 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.974 HD21 ' CG ' ' A' ' 25' ' ' ASP . 13.6 mt -60.32 -42.88 96.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.8 mt-30 -58.08 -56.98 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.52 -13.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -91.12 -37.52 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.722 ' HE2' HD22 ' A' ' 111' ' ' LEU . 2.6 m-85 -117.97 -55.02 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.612 ' HG2' HD22 ' A' ' 53' ' ' LEU . 6.9 mm-40 -49.66 -44.39 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -105.76 -26.94 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.48 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 21.0 mttp 60.04 54.96 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -60.71 -69.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.1 m-90 -85.96 39.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.48 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 14.7 t80 -82.13 108.8 15.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.56 105.01 8.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.5 56.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.02 27.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.65 -35.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 66' ' ' THR . 4.2 mm? -41.61 -60.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -37.44 -52.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.63 ' CB ' HG21 ' A' ' 72' ' ' ILE . 88.2 mmm -52.16 -45.05 64.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -42.2 -48.68 4.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 43.8 mtm180 -56.69 -57.13 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -35.63 -47.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 mpp? -56.61 -56.91 15.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.3 p -51.66 -35.63 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -53.65 -51.27 49.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD12 HD22 ' A' ' 20' ' ' ASN . 32.3 mt -35.55 151.34 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HA ' ' CG ' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.79 -36.94 9.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.7 p-80 -73.43 -22.03 60.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.705 HD22 HD12 ' A' ' 17' ' ' LEU . 92.0 m-20 -106.02 39.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 16.8 mmm180 -96.56 -27.39 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -123.6 175.91 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.48 176.02 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -97.48 -30.4 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.58 -70.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 13.3 p -69.42 -4.41 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 43.33 40.2 2.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 48.1 tt0 -80.09 163.31 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 50.7 ttp180 -94.53 111.2 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.27 65.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 62' ' ' ILE . 53.7 Cg_endo -69.74 124.6 11.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.827 ' HA ' HD12 ' A' ' 62' ' ' ILE . 68.3 p -117.33 23.36 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.163 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.541 ' HB3' HG23 ' A' ' 42' ' ' VAL . 9.9 m-85 -149.7 166.5 29.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 41' ' ' PHE . 15.8 m -152.16 122.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.67 111.8 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mmm -71.95 -26.92 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.4 m -70.74 -53.03 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -85.06 -31.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.21 28.48 20.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 p -112.08 177.99 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 16.4 m-85 -111.36 114.81 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' A' ' 33' ' ' TYR . 29.6 m -119.51 -175.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 p -114.08 176.01 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' CE1' ' A' ' 33' ' ' TYR . 1.7 m -59.84 -41.56 91.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.29 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' SER . 71.0 m -57.48 -54.81 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.57 ' HA ' HG11 ' A' ' 59' ' ' VAL . 53.0 p -38.13 -35.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.3 -39.69 51.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.5 m -67.52 -53.46 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD22 ' ND1' ' A' ' 57' ' ' HIS . 3.7 mt -40.07 -45.09 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -49.95 -43.67 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.12 -30.94 25.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 116' ' ' GLU . 53.7 mt -55.7 172.99 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -144.71 116.31 5.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.54 91.06 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.319 -0.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 120.71 7.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.4 m170 -59.53 173.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -110.46 115.14 29.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.8 m -124.03 142.63 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -141.71 128.16 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -54.08 158.61 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' THR . 91.9 mt -88.96 -37.6 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.9 p -103.34 -50.53 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.0 mmm -59.94 -24.61 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -125.13 148.36 48.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 8' ' ' LEU . 11.9 t -100.12 176.2 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -144.35 169.22 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.52 HG22 ' OE2' ' A' ' 71' ' ' GLU . 8.0 t -126.17 147.18 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.157 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -34.36 -53.87 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -44.15 -46.07 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' HG22 ' A' ' 68' ' ' THR . 42.6 mt-10 -76.66 -41.89 43.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.63 HG21 ' CB ' ' A' ' 10' ' ' MET . 44.4 mm -48.65 -58.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.36 -55.81 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.2 t80 -46.17 -34.46 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -25.65 41.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 18.8 mt-30 -80.61 -46.71 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.11 -15.3 5.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.6 m80 -111.53 -76.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.38 159.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.52 -13.61 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -52.66 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.4 m -91.57 -38.86 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.66 -68.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.1 tttt -40.33 -65.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLY . 29.9 mt-30 -43.77 -50.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 122' ' ' VAL . 75.2 mt -51.97 -36.78 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.937 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -86.43 -12.87 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.937 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -115.24 14.78 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -55.34 -41.68 80.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 122' ' ' VAL . 11.8 mt -93.12 -24.94 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 120' ' ' TRP . 5.2 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.78 0.242 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.83 159.55 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 12.3 m-85 -111.79 -39.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -43.84 -26.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -114.29 120.43 38.31 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -19.72 35.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.79 -44.86 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -67.3 -48.87 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.07 -38.33 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -51.6 -56.3 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -54.05 -65.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.442 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 12.2 t80 -44.4 -47.19 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.419 HD22 ' HE2' ' A' ' 115' ' ' TYR . 14.3 mt -52.8 -53.14 52.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.494 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 94.5 mt-30 -50.71 -52.99 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.428 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 38.9 mm-40 -58.15 -12.65 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -93.07 -35.76 13.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.419 ' HE2' HD22 ' A' ' 111' ' ' LEU . 6.8 m-85 -118.44 -56.04 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.554 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.4 mt-10 -52.22 -38.64 58.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 25.4 mmtt -109.89 -21.22 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 mttp 54.21 47.13 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -53.33 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 1.5 m-90 -89.02 47.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -90.89 109.4 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 86' ' ' ILE . 54.5 t -128.75 107.68 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.44 63.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.7 -38.84 7.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.751 2.301 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 126' ' ' GLN . 6.8 pt-20 -36.03 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 125' ' ' GLU . 1.1 tm0? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.92 -43.53 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -53.25 -38.82 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtm -74.13 -48.3 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -45.69 -62.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -41.48 -29.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.01 -40.67 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 29.7 mtm -65.14 -63.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 t -56.02 -15.66 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.62 -33.96 41.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.723 HD13 ' NE2' ' A' ' 19' ' ' HIS . 13.7 mt -41.08 152.54 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.1 Cg_endo -69.82 -22.38 31.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.723 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.1 p-80 -87.14 -1.97 58.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -120.14 -14.5 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 18.7 mmm180 -40.28 -33.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -117.77 158.17 25.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 2.5 t -55.17 173.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 22.4 t80 -95.0 -22.05 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.62 -66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 p -82.38 4.51 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 1.0 OUTLIER 44.17 26.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLY . 39.3 tt0 -62.65 108.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.73 85.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 140.94 66.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.9 26.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.8 t -126.65 18.56 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 32' ' ' THR . 20.2 m-85 -149.64 165.55 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.444 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 3.3 m -140.9 137.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' THR . 15.7 t-20 -92.63 75.98 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 75' ' ' LEU . 83.0 mmm -43.11 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' ASN . 61.4 m -68.57 -53.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 48.4 t -88.44 -46.78 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.29 5.61 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p -109.16 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 3.3 m-85 -109.89 100.41 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 50' ' ' LEU . 34.8 m -103.2 -175.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.07 -178.04 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 0.6 OUTLIER -62.91 -51.34 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -48.81 -49.15 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.58 -30.97 66.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.4 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.8 p -49.61 -34.34 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.5 -30.39 30.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -75.69 -22.51 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 42' ' ' VAL . 16.0 mt -87.57 -40.34 14.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -77.08 -8.3 57.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.53 -20.55 54.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.12 178.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 10.4 t-20 -138.76 115.34 8.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.73 156.16 92.83 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.05 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -81.9 -178.53 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -116.99 127.53 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -136.07 130.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -127.99 134.42 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.9 m -54.57 147.78 13.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -81.91 -33.35 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.1 p -103.13 -53.87 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 tpp -56.08 -42.72 77.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -108.26 138.88 43.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.6 p -92.32 -175.03 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CZ ' HG21 ' A' ' 34' ' ' VAL . 92.3 m-85 -143.82 -176.97 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 71' ' ' GLU . 2.8 t -131.38 148.84 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 12.0 tm0? -36.67 -56.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -45.98 -58.92 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 68' ' ' THR . 16.8 mm-40 -59.78 -57.15 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mm -36.86 -55.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 22.8 mm-40 -56.08 -56.18 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 t80 -44.72 -30.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 36' ' ' MET . 32.6 mt -85.73 -29.65 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.4 mt-30 -75.63 -38.02 59.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -69.72 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.639 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.9 m80 -112.42 -75.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.7 158.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.7 m-20 -61.19 -13.1 15.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.72 -60.99 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.2 m -93.01 -32.65 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.26 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -39.02 -63.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.53 -50.14 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.0 mt -52.08 -36.91 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.839 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.1 m95 -85.9 -14.42 44.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.839 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -110.44 17.79 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.68 -44.86 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.31 -18.06 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.2 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.823 0.26 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -93.71 155.72 17.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 49.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -134.34 -35.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.24 133.1 20.47 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.667 0.746 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.38 16.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.7 -51.21 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -61.51 -49.01 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.1 -39.46 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG2' ' NE2' ' A' ' 112' ' ' GLN . 7.9 ttmt -64.81 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -45.46 -33.39 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 2.9 t80 -79.2 -48.82 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.18 -37.83 70.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 80.3 mt-30 -60.4 -56.73 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 46.7 mm-40 -57.21 -13.19 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.45 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 35.0 tttt -94.24 -35.48 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.97 -55.58 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.3 mm-40 -54.9 -31.59 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER -114.49 -26.91 7.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 56.77 49.8 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -60.93 -70.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.48 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.4 m-90 -82.31 49.3 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -90.99 127.41 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 86' ' ' ILE . 82.8 t -153.73 104.99 2.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.49 69.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.7 Cg_endo -69.74 -34.18 15.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 40.4 mt-10 -35.23 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 84.2 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 66' ' ' THR . 4.2 mp -47.57 -46.86 28.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -48.4 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 mmm -56.97 -36.09 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 11' ' ' LEU . 1.4 tm? -38.68 -65.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -41.59 -38.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.84 -46.61 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.688 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.1 mpp? -63.26 -57.57 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.2 p -51.14 -29.95 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.38 95.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' A' ' 19' ' ' HIS . 24.9 mt -46.25 153.07 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.09 2.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' NE2' HD13 ' A' ' 17' ' ' LEU . 14.7 p-80 -70.3 -1.1 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -124.25 34.32 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.49 -20.86 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -131.73 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.1 t -56.02 171.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -96.21 -26.21 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.25 -69.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.96 3.18 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.34 36.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.5 151.39 45.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.48 102.81 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.59 67.33 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.09 22.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.1 p -124.79 22.73 8.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -151.01 162.7 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.46 122.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' GLY . 17.5 t-20 -79.65 86.08 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.7 mmm -43.47 -47.64 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.1 m -52.32 -41.39 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -108.35 14.54 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 39.1 32.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -108.47 166.64 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -105.0 115.7 30.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 33' ' ' TYR . 13.2 m -122.28 -178.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.45 179.42 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 9.3 t -62.88 -40.18 96.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 44' ' ' THR . 17.0 t -58.52 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' SER . 69.1 m -55.29 -56.72 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.435 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.5 p -36.5 -36.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.58 75.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' CYS . 31.7 m -68.92 -50.56 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 11.2 mt -41.21 -41.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -60.5 -42.75 96.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.38 -35.02 20.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 68.9 mt -51.96 168.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -137.95 117.74 10.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.31 89.87 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.363 -0.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 24.6 m170 -65.14 -175.99 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -123.48 126.25 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -132.3 135.37 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -131.47 119.83 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 5.8 m -45.19 155.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.3 mt -90.48 -34.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -102.84 -46.72 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.43 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 2.8 mpp? -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -110.35 138.51 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 8' ' ' LEU . 31.8 p -91.6 -178.73 5.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -138.62 179.94 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 71' ' ' GLU . 4.1 t -132.61 153.12 51.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' THR . 32.8 tp60 -38.45 -54.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -49.85 -57.23 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.523 ' H ' HG23 ' A' ' 68' ' ' THR . 75.2 mt-10 -57.84 -56.65 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.688 HG23 ' CE ' ' A' ' 14' ' ' MET . 47.1 mm -36.91 -63.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -50.28 -56.63 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.0 -41.1 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.7 mt -69.4 -50.64 44.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -56.51 -53.97 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -45.94 -34.75 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.5 m80 -96.82 -75.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.93 160.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -61.68 -15.65 41.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -48.48 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.91 -37.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -43.39 -67.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 ttpt -41.05 -67.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -43.9 -49.4 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.07 -30.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.461 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -92.34 -12.41 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 87' ' ' TRP . 7.5 mt -108.59 20.65 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.35 -56.06 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.3 mt -81.48 -41.08 22.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.4 t80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.763 0.235 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' PHE . 1.1 m-20 -85.87 31.61 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' ASP . 1.6 m-85 35.9 44.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -127.7 -30.21 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 17.3 m-20 -114.11 129.61 24.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -26.79 27.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -68.74 -45.94 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.47 -44.81 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.18 -53.29 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -47.17 -52.35 15.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.86 -50.11 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.2 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.2 -35.21 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 116' ' ' GLU . 27.7 mt-30 -68.21 -36.54 79.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -72.13 -12.05 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.413 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 9.1 tttp -97.13 -32.02 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.41 ' HE2' HD21 ' A' ' 50' ' ' LEU . 4.5 m-85 -118.29 -47.37 2.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.26 -33.4 75.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -114.51 -25.36 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 121' ' ' TYR . 18.3 mtpt 55.62 45.02 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -55.22 -69.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -84.07 43.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 22.6 t80 -89.24 115.41 26.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.1 t -142.45 105.0 5.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.23 68.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.79 6.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -41.5 -32.91 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.859 HD11 ' HB ' ' A' ' 66' ' ' THR . 3.8 mp -46.55 -42.47 15.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -46.71 -51.63 15.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.579 ' HB2' HG21 ' A' ' 72' ' ' ILE . 74.6 mmm -53.27 -39.24 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -42.78 -48.69 5.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.37 -55.24 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.78 -42.03 24.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.486 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 31.7 mtm -63.64 -53.75 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -51.6 -31.39 24.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.01 95.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 ' NE2' ' A' ' 19' ' ' HIS . 19.3 mt -38.7 145.71 0.34 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.639 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -73.23 1.43 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' LYS . 58.6 m-20 -117.25 -26.44 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -40.71 -27.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.5 mtmp? -123.75 171.65 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' GLN . 1.8 t -73.01 -179.9 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -96.28 -38.18 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CG ' HD21 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -99.26 -69.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 18.6 p -73.56 2.0 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 42.89 31.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' CYS . 3.2 tp-100 -69.93 144.09 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -84.71 113.65 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.08 66.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.6 35.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 65.2 p -124.97 18.33 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.565 ' HB3' HG23 ' A' ' 42' ' ' VAL . 19.1 m-85 -146.35 168.32 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -144.38 131.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' CG ' HG22 ' A' ' 37' ' ' THR . 21.3 t30 -84.01 83.0 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mmm -57.29 -17.76 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 HG23 ' A' ' 38' ' ' VAL . 1.7 t -77.99 -17.81 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.753 HG23 HG23 ' A' ' 37' ' ' THR . 69.4 t -126.02 -55.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.73 18.3 2.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -106.76 176.6 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.02 112.47 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 33' ' ' TYR . 26.8 m -109.07 177.32 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.97 176.67 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.405 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 5.6 m -57.31 -32.77 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -69.64 -67.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.57 -41.74 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.775 ' HA ' HG11 ' A' ' 59' ' ' VAL . 95.3 p -47.88 -33.74 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA2' ' NH2' ' A' ' 51' ' ' ARG . . . -85.79 -29.25 26.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 -46.85 46.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.82 -29.41 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' NH2' ' HA2' ' A' ' 48' ' ' GLY . 27.1 mtm105 -67.97 -44.73 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.61 -33.8 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.641 HD22 ' HG3' ' A' ' 116' ' ' GLU . 61.7 mt -55.45 170.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -141.33 117.37 7.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 160.46 87.92 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.366 -0.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.34 62.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 37' ' ' THR . 11.7 m170 -84.09 -174.87 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.95 119.62 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 47' ' ' SER . 6.5 m -132.26 136.94 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 65' ' ' THR . 14.2 mtpp -138.1 126.75 23.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 2.8 p -43.13 154.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' CA ' ' A' ' 33' ' ' TYR . 64.9 mt -92.39 -47.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 m -94.28 -33.73 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.8 ttt -81.46 16.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE3' ' A' ' 60' ' ' LYS . 33.6 m -160.66 139.82 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.859 ' HB ' HD11 ' A' ' 8' ' ' LEU . 61.7 p -95.12 148.86 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -121.73 163.79 18.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HG3' ' A' ' 71' ' ' GLU . 9.3 t -117.79 157.18 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' THR . 4.7 tp-100 -34.59 -53.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.48 -63.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 68' ' ' THR . 18.6 mt-10 -55.04 -43.64 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' A' ' 10' ' ' MET . 29.7 mm -54.45 -65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -49.59 -35.31 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t80 -66.34 -32.5 73.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.75 -27.43 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 82.6 mt-30 -78.96 -39.32 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -67.15 -21.61 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 24.9 m80 -105.08 -75.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.15 167.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.82 -7.85 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.45 -61.01 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 83' ' ' CYS . 21.1 m -93.11 -45.25 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 82' ' ' VAL . 6.6 m -37.22 -68.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.94 -64.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -45.05 -48.03 11.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.7 -28.94 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.818 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -93.44 -14.78 26.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.818 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -109.35 14.32 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.24 -53.6 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.1 mt -85.17 -38.68 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.806 0.252 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.61 176.73 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -127.56 -31.17 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.43 -26.54 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.07 123.03 38.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.825 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.63 12.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.632 2.222 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -52.93 -44.97 67.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -65.94 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 111' ' ' LEU . 59.1 t -48.78 -36.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -56.57 -59.3 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -50.72 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 4.4 t80 -47.12 -43.7 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 107' ' ' VAL . 12.4 mt -58.26 -38.59 77.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 68.2 mt-30 -59.49 -56.17 25.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.36 -12.81 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.525 ' HZ1' HD21 ' A' ' 88' ' ' LEU . 33.4 tttt -95.87 -33.55 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -117.54 -55.92 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.641 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.3 mt-10 -54.55 -42.25 70.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -105.96 -22.22 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.8 mttt 51.73 47.84 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -53.99 -67.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -87.05 54.26 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -95.98 102.38 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.58 101.42 24.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 0.0 112.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -43.84 -32.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t -148.24 143.94 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -146.37 157.52 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.74 -48.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -174.79 126.74 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 0.0 110.797 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -86.32 130.72 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.67 -53.95 3.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.25 -40.27 11.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -52.76 -38.97 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -76.5 -28.9 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 62' ' ' ILE . 2.8 tt -67.98 -59.81 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -46.34 -22.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.12 -34.26 32.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 41.8 mtm -68.02 -60.98 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -62.4 -11.39 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.68 -34.82 27.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.957 HD13 ' NE2' ' A' ' 19' ' ' HIS . 18.4 mt -42.09 153.64 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -17.6 37.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.228 . . . . 0.0 112.312 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.957 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.8 p-80 -94.18 5.5 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -125.68 -12.35 6.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -45.38 -31.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -115.41 160.95 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.32 -179.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -96.05 -26.9 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 -70.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.55 -4.08 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 48.53 31.02 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 29' ' ' ARG . 5.3 tm0? -71.62 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 3.6 ptp85 -70.99 89.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 140.11 66.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 136.66 33.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.5 t -127.18 18.65 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.715 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.9 m-85 -149.97 161.14 42.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 m -142.14 131.12 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -84.4 118.63 24.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -74.05 -23.95 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -80.34 -61.31 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 t -74.7 -26.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.79 34.85 37.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 p -116.03 -179.35 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 4.6 m-85 -114.98 103.82 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -105.59 -175.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -116.38 179.87 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -60.78 -39.14 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.96 -59.04 5.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' SER . 79.6 m -62.32 -51.18 68.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.548 ' HA ' HG11 ' A' ' 59' ' ' VAL . 79.2 p -37.81 -45.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.56 -37.43 68.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 17.8 m -63.7 -56.34 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 42' ' ' VAL . 10.1 mt -40.39 -48.26 2.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 9.0 mtp-105 -50.72 -45.19 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.13 -33.24 22.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.846 HD22 ' OE1' ' A' ' 116' ' ' GLU . 42.7 mt -61.17 172.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.9 t30 -141.53 122.13 8.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.9 Cg_endo -69.71 153.83 92.95 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.309 -0.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.26 4.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -60.15 -177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -120.51 115.66 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.7 m -122.27 146.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -145.11 127.86 16.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -52.42 158.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 32' ' ' THR . 60.2 mt -90.64 -38.8 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.2 p -103.89 -30.98 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 4.6 tmm? -78.36 -20.61 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -132.19 153.16 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -99.07 176.95 5.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -149.7 161.52 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.88 168.14 9.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -52.05 -61.42 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 16.5 pt20 -41.52 -32.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 77.5 mt-10 -82.63 -54.58 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.0 mm -47.03 -58.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -52.15 -42.62 63.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -59.79 -41.35 90.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.79 -33.48 60.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 48.7 mt-30 -70.03 -42.08 73.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -69.13 -15.17 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.6 m80 -106.16 -75.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.58 162.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -66.58 -17.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.47 -67.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 83' ' ' CYS . 33.1 m -86.81 -45.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 82' ' ' VAL . 8.4 m -38.32 -67.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -43.01 -64.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.94 -45.35 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.74 -29.73 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.88 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.6 m95 -91.99 -14.89 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.88 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.63 24.36 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.64 -51.99 21.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.514 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.67 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -39.4 133.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 13.0 m-20 -147.73 120.06 8.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ASP . 6.8 p-10 -35.17 -37.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -80.66 -48.19 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 p -54.6 -44.16 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 m -149.01 173.71 13.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.85 176.01 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.562 HG23 ' HD2' ' A' ' 99' ' ' PRO . 14.2 mm -102.73 137.06 19.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -167.11 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.18 158.52 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -112.24 43.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -127.66 -37.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.55 135.0 19.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.59 9.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.4 -41.26 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -51.43 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 67.0 t -62.93 -32.13 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -71.77 -59.6 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.78 -33.64 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.4 t80 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.544 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.1 mt -52.15 -35.25 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 116' ' ' GLU . 98.1 mt-30 -62.55 -52.03 65.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 9.1 mt-10 -57.31 -12.67 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 6.4 tttp -96.46 -32.0 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.544 ' HE2' HD22 ' A' ' 111' ' ' LEU . 10.5 m-85 -116.46 -56.06 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.846 ' OE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.18 -41.75 79.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 19.0 mmtp -103.79 -27.58 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 35.9 mttp 54.64 50.07 16.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -61.69 -67.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.5 m-90 -84.9 40.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 10.3 t80 -89.03 104.73 17.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.7 t -133.67 98.71 14.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 156.08 64.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.543 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.8 Cg_endo -69.7 -38.73 7.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -39.88 -38.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -99.89 -44.57 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -39.29 -52.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -86.49 165.67 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 64.5 p -93.36 154.29 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -157.36 -171.43 23.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -9.88 27.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -133.49 105.75 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 m -103.99 85.16 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.52 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -97.73 -50.55 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 50.66 39.88 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 60.28 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -86.24 101.52 13.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -149.39 118.65 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.9 -58.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.1 mp -60.67 -46.01 91.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.99 -34.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtp -69.26 -39.31 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -51.21 -51.33 54.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.49 -47.35 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.56 -34.69 73.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 mtm -68.49 -52.97 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 11' ' ' LEU . 68.2 p -55.95 -26.66 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -34.52 63.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.444 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' NE2' ' A' ' 19' ' ' HIS . 76.9 mt -46.86 151.28 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.01 19.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.685 ' NE2' HD13 ' A' ' 17' ' ' LEU . 29.3 p-80 -84.2 4.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -131.1 29.95 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -90.45 -32.91 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -121.27 179.26 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.37 174.57 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 24.7 t80 -104.83 -14.66 15.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -111.33 -68.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.4 p -84.91 4.79 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.51 29.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 29' ' ' ARG . 59.3 tt0 -62.88 159.33 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.1 tmt_? -96.41 110.34 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.15 68.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 125.04 11.64 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -119.13 19.71 12.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 14.8 m-85 -146.3 158.13 43.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 m -142.69 138.89 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.569 ' ND2' HD13 ' A' ' 50' ' ' LEU . 10.0 t-20 -88.94 112.05 22.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mmt -68.57 -30.04 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -72.72 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -74.0 -31.28 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.75 31.51 26.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 p -115.96 -179.18 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -110.61 119.69 39.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 33' ' ' TYR . 17.1 m -121.13 -179.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.8 p -109.89 176.06 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 4.9 m -61.86 -47.12 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -54.13 -37.35 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -78.57 -41.63 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.0 p -42.7 -29.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.44 -41.54 7.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -65.06 -51.07 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' ND2' ' A' ' 35' ' ' ASN . 20.0 mt -44.5 -47.44 10.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 10.9 mtm105 -55.07 -46.35 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.02 -30.89 5.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 64.5 mt -61.1 167.37 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.954 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -137.88 120.19 10.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.79 158.42 91.12 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.352 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 120.02 6.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -61.27 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -126.03 122.11 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.42 152.8 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -150.42 119.1 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.4 m -44.71 151.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.44 -38.77 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -101.27 -49.75 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -59.16 -34.07 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.6 m -116.32 142.11 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -88.31 170.42 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.91 170.73 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 71' ' ' GLU . 3.5 t -125.04 158.22 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -44.39 -43.8 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -57.27 -63.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' H ' HG23 ' A' ' 68' ' ' THR . 43.6 mt-10 -50.29 -50.44 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mm -48.97 -59.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.17 -59.39 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -41.45 -56.48 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.5 mt -53.66 -56.23 19.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -49.81 -45.61 50.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -52.37 -30.87 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' VAL . 76.5 m80 -109.35 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 57.28 159.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -55.37 -20.82 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 59.9 tt0 -47.57 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.5 m -92.48 -36.74 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.82 -68.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 17.5 ttpt -41.67 -65.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.12 -49.17 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.8 mt -54.81 -28.57 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -94.63 -13.34 25.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -111.1 17.14 20.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.91 -54.23 3.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' PHE . 13.8 mt -83.89 -42.29 16.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 4.5 t80 -37.12 138.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -152.97 108.28 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -41.82 -31.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -55.66 -53.23 59.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 p -123.04 74.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.7 p -168.76 179.32 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.29 135.49 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' A' ' 99' ' ' PRO . 14.7 mm -101.5 135.27 19.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.8 -177.5 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.69 156.38 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.86 47.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -133.7 -43.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -100.1 125.46 39.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -30.04 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -57.62 -41.39 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -74.23 -62.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -44.75 -41.9 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -58.46 -50.82 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.03 -61.07 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.2 t80 -48.77 -47.42 41.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.3 mt -53.46 -42.16 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.9 mt-30 -61.58 -37.0 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.39 -17.5 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.22 -23.81 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.672 ' HE2' HD22 ' A' ' 111' ' ' LEU . 26.6 m-85 -104.81 -54.82 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.7 mm-40 -72.36 -58.85 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.1 -25.07 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 44.8 mttt 53.41 25.86 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 14.4 ttt180 -35.7 -68.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -90.44 51.38 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 16.8 t80 -95.33 96.77 9.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 123' ' ' PRO . 55.8 t -120.99 98.83 47.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.747 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 122' ' ' VAL . 53.1 Cg_endo -69.86 152.15 68.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.9 Cg_endo -69.72 -30.7 22.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -45.04 -30.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.2 -41.13 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -59.61 -59.93 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -48.94 -54.39 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t 55.74 43.06 28.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.69 -160.93 9.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.68 67.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.8 t -110.09 107.83 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.5 m -66.91 -59.88 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.483 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -149.7 117.32 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.2 t -66.81 151.38 47.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.01 -56.61 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -130.19 103.45 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -5.59 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -18.75 3.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.3 -37.29 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -57.72 -36.46 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mmm -78.5 -41.06 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 62' ' ' ILE . 15.3 tp -45.73 -59.02 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -45.05 -51.61 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.49 -45.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.401 ' CE ' HG23 ' A' ' 72' ' ' ILE . 13.1 mtm -58.61 -55.94 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.8 p -55.53 -28.49 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -34.69 67.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' NE2' ' A' ' 19' ' ' HIS . 95.0 mt -45.33 153.68 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -43.43 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.705 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.1 p-80 -70.6 -12.0 61.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -116.84 37.43 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -92.39 -33.53 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -126.77 174.78 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.99 172.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.447 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 79.8 t80 -97.35 -4.15 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -132.37 -64.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 14.5 p -77.03 2.13 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.6 t70 34.95 51.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -104.86 103.17 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.66 145.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 91.08 47.98 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 54.5 Cg_endo -69.74 114.57 3.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 62' ' ' ILE . 48.6 p -111.2 28.56 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' THR . 13.5 m-85 -150.72 151.79 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 41' ' ' PHE . 19.3 m -139.76 129.17 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' GLY . 50.4 t-20 -81.25 114.9 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.6 mmm -73.03 -32.31 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -65.91 -55.4 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -85.44 -30.72 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 85.33 35.83 11.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -116.51 178.19 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 34' ' ' VAL . 18.6 m-85 -110.85 114.23 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' ' 33' ' ' TYR . 27.1 m -120.09 -176.23 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -69.05 -27.13 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 t -68.83 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' SER . 56.4 m -56.97 -44.33 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.66 ' HA ' HG11 ' A' ' 59' ' ' VAL . 64.7 p -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.4 -31.95 60.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.7 m -70.34 -48.84 54.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 10.4 mt -45.12 -46.97 12.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -49.27 -41.07 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.75 -38.02 28.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.05 171.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.6 t30 -139.72 121.01 9.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.2 Cg_endo -69.82 155.81 93.24 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 -1.819 . . . . 0.0 112.315 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.33 9.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 25.0 m170 -62.16 -178.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -122.76 122.92 39.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.1 m -124.64 153.96 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -152.68 125.64 8.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 64.6 m -53.55 147.9 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 32' ' ' THR . 86.5 mt -84.68 -43.15 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -91.32 -54.14 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.466 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.3 tpt -55.74 -38.8 70.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -116.11 141.75 47.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.06 177.83 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.6 t -129.59 152.67 48.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 31.4 tp60 -36.28 -46.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -51.34 -61.52 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.44 -51.9 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.401 HG23 ' CE ' ' A' ' 14' ' ' MET . 24.1 mm -41.82 -61.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' GLN . 12.5 mm-40 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -39.76 -40.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.9 -34.01 64.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' GLU . 32.9 mt-30 -70.28 -41.68 73.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -62.78 -13.84 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.8 m80 -117.09 -75.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.61 159.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.9 -14.14 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -52.98 -64.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.3 m -89.21 -37.0 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -45.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 36.3 tttt -42.75 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.2 -48.02 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 122' ' ' VAL . 64.4 mt -56.15 -30.08 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.913 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -10.37 36.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -116.17 20.98 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.76 -51.63 12.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.4 mt -85.99 -39.91 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -38.58 142.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -149.89 106.55 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -42.05 -31.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -57.15 11.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -85.25 -71.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -69.07 161.09 29.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.85 130.51 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.045 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 99' ' ' PRO . 9.5 mm -52.35 133.49 42.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.8 -174.52 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -85.83 163.57 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.67 38.08 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -127.12 -28.6 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.65 125.77 30.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 105' ' ' GLN . 53.7 Cg_endo -69.82 -27.01 26.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 104' ' ' PRO . 26.2 mp0 -61.77 -48.15 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -67.99 -59.12 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG12 HD12 ' A' ' 111' ' ' LEU . 92.2 t -46.45 -42.69 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -57.86 -61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.39 -60.52 2.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 1.4 t80 -51.65 -47.92 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 107' ' ' VAL . 13.0 mt -55.83 -50.17 71.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 28.9 mt-30 -56.84 -49.67 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.21 -13.14 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -113.3 -14.86 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -117.95 -54.51 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 18.4 mt-10 -71.91 -59.01 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -74.62 -26.45 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 121' ' ' TYR . 26.2 mtpt 57.65 40.72 26.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.9 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -85.14 51.58 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.42 ' CG ' ' HE2' ' A' ' 118' ' ' LYS . 24.9 t80 -97.34 127.92 43.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 86' ' ' ILE . 76.5 t -151.73 105.2 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.69 65.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 54.0 Cg_endo -69.76 -35.93 11.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.74 -35.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -98.58 -48.54 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -51.46 -57.12 9.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -73.94 92.67 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -81.36 128.81 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.42 142.94 7.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.33 29.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.3 m -117.48 109.46 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 85.7 p -143.23 131.8 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -93.44 164.65 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -57.95 -58.28 9.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.18 -143.19 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 69.48 36.45 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -107.04 118.82 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.92 -48.95 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.51 -49.59 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -46.19 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 49.6 mmm -60.5 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -40.51 -61.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -42.75 -49.31 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.85 -42.81 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.41 ' CE ' HG23 ' A' ' 72' ' ' ILE . 19.3 mtm -59.78 -49.54 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 11' ' ' LEU . 65.0 p -62.12 -14.06 33.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.43 -23.9 49.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.766 HD13 ' NE2' ' A' ' 19' ' ' HIS . 55.7 mt -47.62 151.93 1.37 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.6 Cg_endo -69.83 -17.59 37.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.766 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.5 p-80 -98.08 2.14 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -128.29 12.31 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 10.0 mmt85 -66.47 -28.16 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.75 169.31 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -56.67 173.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 9.1 t80 -96.72 -22.14 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -68.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.79 -8.55 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.1 40.71 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -90.62 135.51 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.52 146.51 51.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 56.2 3.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 119.59 6.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 71.4 p -111.6 27.89 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -150.64 156.36 41.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.14 134.92 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -84.79 115.33 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmt -73.35 -29.07 62.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -75.42 -57.68 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -77.49 -30.17 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 34.62 23.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 p -118.55 179.17 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -108.52 118.26 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.3 m -121.69 -176.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.63 179.86 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.95 -35.65 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -62.83 -67.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.6 m -56.82 -54.32 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.675 ' HA ' HG11 ' A' ' 59' ' ' VAL . 90.0 p -37.75 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -78.38 -38.8 24.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' CYS . 5.3 t -70.71 -48.59 53.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.919 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD22 ' ND1' ' A' ' 57' ' ' HIS . 13.2 mt -40.15 -38.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 -61.82 -48.98 78.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.07 -31.03 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 15.4 mt -62.9 174.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 17.2 t30 -143.9 121.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.74 156.98 92.47 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.472 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.0 m170 -61.69 -175.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -125.98 113.9 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -119.29 139.12 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -138.71 121.03 15.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 12.0 m -48.64 154.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 11' ' ' LEU . 74.5 mt -90.11 -32.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -100.98 -51.53 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.432 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 19.6 mtm -59.06 -38.04 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 m -110.74 144.15 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -88.92 -177.4 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -147.62 -176.42 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 71' ' ' GLU . 6.3 t -140.34 162.25 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -48.83 -46.09 41.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -55.52 -62.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 68' ' ' THR . 69.7 mm-40 -49.22 -53.15 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' CE ' ' A' ' 14' ' ' MET . 43.7 mm -49.23 -42.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.97 -51.91 65.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 3.4 t80 -53.75 -48.75 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.2 -47.54 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.35 -47.7 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -52.48 -32.16 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -99.99 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.82 162.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -63.87 -12.91 40.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.09 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.4 m -92.98 -36.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -45.45 -67.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 tttt -41.52 -65.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLY . 30.1 mt-30 -44.9 -52.12 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -52.46 -27.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.883 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -95.85 -14.07 23.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -112.27 3.13 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -37.73 -32.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 90' ' ' LEU . 10.3 mt -111.87 -12.67 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.497 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 33.2 t80 -87.97 125.45 34.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.17 151.08 39.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.69 -38.04 76.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -69.74 -53.37 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.6 m -62.63 -64.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.2 m -84.69 161.69 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -119.46 126.84 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.39 127.37 91.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.693 0.758 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.5 Cg_endo -69.73 -175.97 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.68 167.85 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -119.92 -37.37 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -49.57 -30.77 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -110.32 119.08 47.84 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.574 0.702 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -36.11 11.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -52.19 -48.33 65.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.8 -60.75 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -45.06 -43.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -48.45 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -43.82 -45.63 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.99 -39.89 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 116' ' ' GLU . 81.4 mt-30 -59.4 -52.14 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -54.48 -14.39 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 115' ' ' TYR . 13.7 ttmt -100.87 -33.85 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 17.7 m-85 -112.47 -55.94 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.5 tm-20 -55.48 -56.22 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -26.58 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 121' ' ' TYR . 3.5 mtmp? 56.57 54.13 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -64.48 -67.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.497 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.9 m-90 -86.83 49.75 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 118' ' ' LYS . 12.2 t80 -94.36 92.78 7.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.6 t -117.87 101.15 52.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.83 51.94 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.426 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.94 -26.36 62.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -128.16 34.02 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -120.6 176.89 5.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -41.74 148.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 t -93.39 123.17 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -136.82 89.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.06 6.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 t -101.17 -46.78 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.0 p -80.36 -1.25 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.515 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -159.8 144.22 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -72.13 85.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.13 85.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -93.91 42.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -93.1 145.03 24.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.79 -45.95 2.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.93 -51.37 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.59 -44.79 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 mmm -68.29 -38.95 82.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 62' ' ' ILE . 7.0 tt -45.57 -42.96 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -61.76 -48.65 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -42.38 -39.9 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 39.1 mtm -65.83 -59.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -47.22 -40.22 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.15 -32.35 56.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.537 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.789 HD13 ' NE2' ' A' ' 19' ' ' HIS . 89.8 mt -50.07 153.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.74 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.789 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.8 p-80 -67.74 -3.62 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.698 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 4.6 m120 -108.67 -28.14 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 26.7 mmm180 -36.3 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASN . 12.5 pttp -132.27 168.58 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.86 -179.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 2.3 t80 -100.23 -23.23 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.648 ' CG ' HD21 ' A' ' 111' ' ' LEU . 47.0 m-20 -113.3 -69.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 16.3 p -71.69 -1.32 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 44.52 34.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.66 100.84 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.9 mtt-85 -45.92 105.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.89 68.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.4 50.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.284 . . . . 0.0 112.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -128.76 12.92 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -147.42 167.93 23.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 41' ' ' PHE . 18.4 m -149.78 125.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -78.02 123.0 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' CE2' ' A' ' 74' ' ' PHE . 9.1 mmt -80.59 -29.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -72.3 -46.01 57.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.99 -23.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 30.85 56.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 p -114.93 178.48 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.698 ' CG ' ' ND2' ' A' ' 20' ' ' ASN . 10.5 m-85 -109.61 113.66 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 50' ' ' LEU . 24.0 m -117.1 -176.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -116.68 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 t -54.94 -37.76 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 t -66.41 -67.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.6 m -54.96 -23.67 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.467 ' HA ' HG11 ' A' ' 59' ' ' VAL . 1.3 t -69.85 -53.9 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.5 64.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.3 t -83.11 -42.6 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 42' ' ' VAL . 12.6 mt -51.92 -37.99 54.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -67.5 -43.08 81.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.84 -35.61 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 ' HG3' ' A' ' 116' ' ' GLU . 49.6 mt -52.86 166.15 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -132.14 119.17 16.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.9 91.5 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.376 -0.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 118.82 5.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.72 163.93 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.67 141.97 27.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -150.05 125.04 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE2' HG21 ' A' ' 65' ' ' THR . 42.6 mtpt -132.54 140.38 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 45.9 m -53.09 168.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.636 HG23 HD21 ' A' ' 11' ' ' LEU . 69.1 mt -88.82 -53.91 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -102.97 -37.15 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.468 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -61.42 -15.96 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 60' ' ' LYS . 94.9 m -118.54 153.12 34.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 65' ' ' THR . 1.1 m -105.14 120.1 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.55 -179.47 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.7 t -139.58 151.43 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' THR . 15.4 tm0? -34.22 -39.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -54.61 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 52.4 mm-40 -55.76 -55.6 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 76' ' ' GLN . 33.2 mm -38.56 -46.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.33 -46.31 77.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 36' ' ' MET . 39.1 t80 -56.73 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.1 mt -57.1 -59.42 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 72' ' ' ILE . 72.1 mt-30 -52.07 -53.09 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -44.6 -22.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.0 -75.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 56.09 161.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -55.46 -17.28 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 23.8 tt0 -48.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.98 -32.93 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.94 -68.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 18.9 ttpt -41.37 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -44.45 -50.0 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -52.83 -29.78 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.434 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.5 m95 -92.65 -19.62 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 88' ' ' LEU . 5.5 mt -101.88 20.93 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.67 -47.93 17.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.34 -25.65 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.85 111.63 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.73 136.4 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -38.85 -45.62 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' SER . 3.3 mmp_? -75.13 -53.1 9.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' ARG . 54.1 m -38.25 -70.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 t -114.99 -175.83 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -134.82 131.86 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.6 mm -57.45 127.96 78.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 111.177 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.3 Cg_endo -69.74 172.62 12.29 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.96 158.57 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 8.0 m-85 -113.91 40.13 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -125.73 -38.1 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.26 127.86 40.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.41 25.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.14 -52.17 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.03 -54.63 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.22 -36.96 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.6 -53.16 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -59.95 -47.32 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.7 t80 -61.6 -44.91 96.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.648 HD21 ' CG ' ' A' ' 25' ' ' ASP . 12.6 mt -58.8 -45.16 90.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 116' ' ' GLU . 59.6 mt-30 -59.73 -52.6 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 78.9 mm-40 -57.64 -13.0 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 62.6 tttt -92.69 -36.71 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.36 -55.08 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.839 ' HG3' HD22 ' A' ' 53' ' ' LEU . 6.3 mt-10 -52.66 -37.19 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 27.2 mmtp -111.1 -23.49 10.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.8 mttm 54.83 51.71 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -58.46 -70.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.3 m-90 -85.58 38.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.76 110.32 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.27 105.0 9.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.68 0.752 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 151.06 69.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 124' ' ' PRO . 78.0 mm-40 -34.63 -32.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 124' ' ' PRO . 21.0 tt0 -100.9 -43.46 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -58.42 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -92.77 81.19 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -60.02 79.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -118.54 151.88 17.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m -132.17 132.24 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 m -94.38 93.08 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.47 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -72.8 149.5 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t 57.48 42.19 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.51 -158.24 13.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -94.75 42.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.9 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -105.92 148.05 28.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.77 -48.74 4.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.26 -52.73 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -43.21 -49.03 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.528 ' HB2' HG21 ' A' ' 72' ' ' ILE . 8.9 mtt -71.94 -45.93 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -35.16 -47.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' ASP . 19.5 ttp180 -61.07 -48.8 80.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' MET . 22.2 t70 -36.63 -41.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.838 ' HE1' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -66.73 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -47.06 -40.93 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.68 -38.69 53.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.982 HD13 ' NE2' ' A' ' 19' ' ' HIS . 88.9 mt -48.93 151.46 2.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.44 9.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.982 ' NE2' HD13 ' A' ' 17' ' ' LEU . 3.0 p-80 -69.91 -14.09 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 3.8 m120 -93.28 -37.68 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASN . 30.4 mmm180 -37.86 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ASN . 22.4 mmtm -117.61 156.85 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 -179.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -99.17 -39.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.64 -70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 14.3 p -72.51 -3.02 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 45.64 36.55 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 tp-100 -80.04 130.94 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -69.86 111.71 5.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.94 65.78 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.98 31.71 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 9.8 p -122.98 20.38 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 15.8 m-85 -150.64 164.94 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.0 133.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -82.25 113.82 20.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.8 m -81.62 -51.43 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.7 t -87.04 -30.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.3 28.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -107.87 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.655 ' CG ' ' ND2' ' A' ' 20' ' ' ASN . 13.0 m-85 -109.45 103.45 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.0 m -106.94 176.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.75 175.73 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 14.1 t -55.41 -39.79 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 44' ' ' THR . 73.8 m -63.03 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 72.6 m -51.01 -52.83 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' HG11 ' A' ' 59' ' ' VAL . 99.0 p -40.75 -31.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.4 -37.58 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.7 t -68.63 -49.78 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -44.57 -46.52 10.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -52.7 -43.09 65.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.83 -34.42 29.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 32.9 mt -55.07 171.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.353 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 5.6 t30 -144.62 119.14 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.76 154.95 93.45 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.14 14.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -68.25 -179.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 113.98 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.9 OUTLIER -115.69 143.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.45 126.12 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.477 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 58.5 m -51.06 154.08 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 11' ' ' LEU . 87.2 mt -86.45 -39.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -97.79 -49.13 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 21.1 ttp -61.8 -40.47 95.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -111.5 143.25 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.5 p -98.3 -176.39 3.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -148.55 172.5 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -118.9 162.35 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -46.32 -59.72 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.7 pt20 -45.44 -32.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 71.8 mt-10 -81.1 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.838 HG23 ' HE1' ' A' ' 14' ' ' MET . 25.2 mm -36.37 -66.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -44.3 -59.21 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t80 -42.4 -48.4 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.68 -34.53 77.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.39 -52.6 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -56.48 -13.03 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.591 ' CE1' ' HE3' ' A' ' 77' ' ' LYS . 26.2 m80 -102.78 -75.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.86 161.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -70.6 -6.95 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -58.7 -61.1 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 78' ' ' HIS . 27.8 m -92.52 -35.93 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.0 m -46.85 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.4 ttpp -42.18 -65.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.07 -48.98 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mt -54.01 -32.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 97.7 m95 -90.39 -14.97 31.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -110.12 20.25 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.75 17.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.86 -35.39 12.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.5 t80 -45.94 131.97 9.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -138.57 152.63 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.7 48.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -130.95 -32.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.6 p -117.82 -44.03 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 m -77.78 166.36 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.26 146.36 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.5 mp -86.57 129.28 53.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 53.4 Cg_endo -69.73 -176.67 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.296 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.55 149.92 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.5 40.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -124.64 -13.45 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.98 126.5 23.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.66 31.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -68.82 -44.27 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -72.2 -53.73 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 64.2 t -51.56 -43.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -55.36 -52.32 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.28 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.9 t80 -46.69 -45.35 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 111' ' ' LEU . 12.3 mt -59.62 -40.6 88.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 48.1 mt-30 -58.74 -37.25 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.77 -16.8 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -104.9 -22.75 13.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -106.85 -54.84 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.5 mt-10 -71.88 -55.5 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -81.79 -27.8 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 65.9 mttt 49.57 38.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.8 ptm180 -55.75 -49.82 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 3.2 m-90 -91.16 26.78 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.412 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 24.7 t80 -80.52 123.02 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.23 105.01 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 148.63 65.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.5 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.96 -26.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 124' ' ' PRO . 2.1 tp-100 -105.23 -37.83 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.91 155.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -88.29 42.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 t -66.8 -49.5 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 174.57 -84.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.95 20.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 t -147.01 136.62 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.0 t -97.22 -44.78 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.521 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -118.98 176.98 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -145.07 117.27 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.97 -44.3 14.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.999 ' HB3' HD13 ' A' ' 8' ' ' LEU . 58.9 m -152.18 131.48 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -61.88 138.97 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.59 -56.23 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 5' ' ' SER . 4.8 mp -43.27 -46.5 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' LEU . 19.3 tttp -36.21 -39.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' LEU . 10.1 mtp -77.93 -41.44 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -37.7 -46.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -60.77 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -40.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.544 ' CE ' HG23 ' A' ' 72' ' ' ILE . 1.9 mpp? -72.01 -50.73 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.7 p -54.68 -16.09 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.56 8.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD13 ' NE2' ' A' ' 19' ' ' HIS . 84.7 mt -41.3 154.04 0.24 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.66 6.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.832 ' NE2' HD13 ' A' ' 17' ' ' LEU . 10.0 p-80 -72.87 -3.92 28.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -124.6 36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -93.6 -33.32 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -124.95 172.39 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.7 t -59.33 172.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -98.59 -22.52 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.15 -61.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.67 5.82 41.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 28.2 m-20 40.16 38.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -82.73 124.36 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -62.92 131.37 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 58.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.97 16.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 62.0 p -118.08 26.22 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.682 ' CE1' HG23 ' A' ' 44' ' ' THR . 16.9 m-85 -150.37 164.05 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -150.26 123.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.32 113.1 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mmt -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 m -73.57 -57.2 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -81.53 -28.54 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.65 31.55 29.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 p -111.83 -179.33 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.26 113.85 26.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 50' ' ' LEU . 28.5 m -121.18 -179.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -113.58 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.682 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.25 -53.56 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -55.46 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.9 m -68.92 -27.02 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -34.72 17.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 51' ' ' ARG . . . -83.32 -30.21 31.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -69.84 -41.34 75.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD11 HG11 ' A' ' 42' ' ' VAL . 21.1 mt -65.73 -46.24 79.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' CD ' ' HA2' ' A' ' 48' ' ' GLY . 22.9 ptt180 -68.9 -14.75 63.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.47 -28.21 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.54 -176.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.9 t30 -144.46 119.92 6.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.5 Cg_endo -69.73 156.76 92.56 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.387 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.24 18.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -71.13 -176.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -122.21 112.39 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.51 136.32 52.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -135.82 125.11 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 70.8 m -49.21 154.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.43 -32.75 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 t -102.81 -50.59 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.41 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 33.2 mtt -60.99 -42.42 98.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -108.08 137.06 46.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.58 ' OG1' HD11 ' A' ' 8' ' ' LEU . 7.5 t -91.53 174.57 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -138.14 -175.8 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLN . 3.6 t -133.04 156.8 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' THR . 29.3 tp60 -35.83 -58.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -43.69 -67.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -46.74 -53.31 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.544 HG23 ' CE ' ' A' ' 14' ' ' MET . 45.9 mm -42.98 -56.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.79 -47.2 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 5.2 t80 -51.35 -37.61 48.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.25 -63.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 36.5 mt-30 -48.03 -46.72 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -47.76 -33.97 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 82' ' ' VAL . 48.0 m80 -104.93 -74.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 162.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -59.26 -14.62 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -50.96 -63.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.8 m -93.32 -39.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' N ' HG23 ' A' ' 82' ' ' VAL . 3.5 m -41.51 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.3 tttm -39.78 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -44.45 -50.78 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -52.04 -29.14 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.888 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.58 -14.0 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.888 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -114.03 18.41 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.96 -50.82 7.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.6 mt -84.52 -43.55 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.6 t80 -34.82 130.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.58 108.97 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.54 -38.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -40.14 -51.38 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -109.87 -62.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -54.76 162.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.57 151.24 38.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 1.2 mp -89.35 130.12 45.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.06 158.79 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.7 m-85 -111.31 -26.38 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.4 -25.25 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.22 115.14 40.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.3 11.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -88.05 -41.73 12.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -72.84 -30.19 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.0 -43.01 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.35 -57.24 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.7 pt-20 -49.66 -38.23 31.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -71.87 -45.72 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.15 -32.95 50.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.5 mt-30 -65.58 -41.43 92.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.16 -14.66 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 88' ' ' LEU . 23.8 ttmt -106.72 -26.09 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.7 -53.39 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -71.18 -59.09 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -78.47 -22.66 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 61.2 mttt 52.07 28.15 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' LYS . 7.5 ttt85 -35.42 -66.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -95.8 56.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.545 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 11.8 t80 -97.76 99.31 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.32 99.91 36.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 157.82 59.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.733 2.288 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.79 -40.95 4.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.5 pt-20 -37.3 -32.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 124' ' ' PRO . 71.1 mt-30 -98.41 -43.54 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -55.04 89.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -146.23 170.97 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -49.74 111.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.06 176.8 45.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 178.27 4.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -56.17 -46.67 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -96.11 152.52 18.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.453 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -110.75 157.99 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -128.12 99.21 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.96 -48.16 5.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -61.47 154.04 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -129.53 -43.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 -18.47 8.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 8' ' ' LEU . 1.6 mm? -72.81 -33.62 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -40.94 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 72' ' ' ILE . 3.5 mmt -74.74 -27.16 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.57 -40.1 96.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -63.85 -43.1 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.29 -37.53 16.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.7 mtm -71.83 -55.62 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.6 p -45.7 -29.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -67.03 -44.94 87.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 ' NE2' ' A' ' 19' ' ' HIS . 67.8 mt -37.54 144.06 0.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -30.04 23.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.91 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.4 p-80 -78.37 4.58 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' LYS . 37.4 m-20 -125.87 -24.28 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 5.2 mmm180 -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -122.12 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.25 177.27 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 22.4 t80 -106.83 -17.23 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -58.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 24.5 p -94.42 12.46 27.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 t70 40.16 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tp-100 -67.55 130.07 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 120.02 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.24 63.91 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.77 52.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -133.23 20.75 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.717 ' HB3' HG23 ' A' ' 42' ' ' VAL . 21.9 m-85 -150.82 163.92 37.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.66 126.24 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -76.46 109.64 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -68.46 -27.45 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -75.44 -61.03 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.436 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 17.0 t -75.52 -27.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 32.13 36.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 171.54 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -98.82 117.95 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.717 HG23 ' HB3' ' A' ' 33' ' ' TYR . 15.3 m -119.29 -176.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 p -119.87 179.61 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.496 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 11.2 t -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 t -71.55 -36.51 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.3 m -84.34 -34.1 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.603 ' HA ' HG11 ' A' ' 59' ' ' VAL . 71.0 p -50.45 -39.42 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 -35.08 37.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -66.95 -54.71 19.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 42' ' ' VAL . 32.6 mt -41.97 -48.79 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -54.06 -37.67 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.76 35.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.63 178.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 39.2 t30 -148.47 121.45 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.75 154.13 93.15 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.34 -0.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.66 9.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -67.48 167.34 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -101.11 114.85 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.603 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -115.17 148.09 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -150.62 146.79 26.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 65' ' ' THR . 9.7 p -64.48 170.47 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.5 mt -92.65 -51.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.9 m -100.54 -43.56 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.502 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -54.67 -14.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 61' ' ' SER . 1.3 t -133.02 142.18 48.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -99.52 130.99 45.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 65' ' ' THR . 81.6 m-85 -105.56 148.49 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -92.73 166.07 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -39.79 -67.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -44.44 -52.9 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -52.72 -45.23 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 10' ' ' MET . 30.0 mm -63.68 -60.59 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.28 -54.63 10.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -44.85 -50.06 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.3 -62.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -47.14 -54.0 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -45.91 -28.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.1 m80 -106.29 -75.22 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.81 163.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.34 -18.57 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.63 -64.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.8 m -92.6 -39.64 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.3 m -41.79 -66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 10.9 ttmm -42.6 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -44.79 -45.75 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' VAL . 82.7 mt -57.46 -30.62 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.808 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -93.24 -8.77 41.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.808 HD23 ' C ' ' A' ' 87' ' ' TRP . 2.3 mt -113.36 11.51 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -34.38 -56.23 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.3 -46.61 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.91 36.12 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 39.3 44.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -112.54 -33.39 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -125.74 -61.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 t -82.3 153.32 25.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.19 158.92 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.497 HG23 ' HD2' ' A' ' 99' ' ' PRO . 37.6 mm -62.18 134.44 94.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.75 -165.78 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.09 148.41 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 3.5 m-85 -98.8 -42.12 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -38.99 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' PHE . 45.2 m-20 -121.87 137.94 27.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -43.77 -49.65 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -56.37 -50.96 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.87 -33.11 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -69.97 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -40.98 -34.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.9 t80 -84.94 -46.04 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 115' ' ' TYR . 13.4 mt -55.37 -26.71 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.3 mt-30 -72.05 -46.39 57.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -66.98 -11.95 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -106.5 -19.0 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.732 ' CE2' HD22 ' A' ' 111' ' ' LEU . 15.5 m-85 -117.44 -51.1 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.4 mm-40 -72.92 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.19 -28.35 42.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt 55.9 38.56 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -47.61 -66.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.62 57.02 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -103.57 122.83 45.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' ILE . 47.3 t -148.69 105.12 3.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 147.97 63.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -31.52 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 124' ' ' PRO . 54.5 mm-40 -37.44 -28.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.495 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -104.03 -47.03 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.11 -58.25 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 129' ' ' SER . 0.1 OUTLIER -102.72 147.92 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 2.9 t -34.96 -52.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.99 81.14 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -15.28 37.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.0 m -154.57 171.21 19.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -75.72 153.92 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.091 -0.839 . . . . 0.0 112.502 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -105.79 168.17 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -88.41 123.9 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.74 3.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -134.76 172.1 13.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -51.25 -52.7 42.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.88 -50.21 59.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.867 HD21 HG23 ' A' ' 66' ' ' THR . 3.6 mm? -43.3 -45.93 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' MET . 25.5 tptt -72.68 -47.97 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.66 ' SD ' HG21 ' A' ' 72' ' ' ILE . 21.9 mtp -35.94 -53.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 62' ' ' ILE . 12.7 mt -36.39 -49.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -47.92 -44.43 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' MET . 8.8 t70 -56.72 -45.15 82.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.2 mtm -59.89 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -44.96 -38.17 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -55.66 -45.33 85.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.887 HD13 ' NE2' ' A' ' 19' ' ' HIS . 82.3 mt -37.91 150.1 0.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.39 4.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.887 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.3 p-80 -67.43 -4.31 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' LYS . 25.3 m-20 -114.08 -20.18 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -43.32 -23.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -138.16 154.86 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.57 179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 13.8 t80 -96.75 -36.68 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.89 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -98.02 -70.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.87 -0.79 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 46.11 29.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -64.75 119.68 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.55 87.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.37 71.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.88 48.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.686 HG23 ' HD1' ' A' ' 33' ' ' TYR . 2.8 t -133.47 17.41 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.686 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.3 m-85 -151.04 170.92 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 60' ' ' LYS . 14.6 m -140.76 135.56 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 50' ' ' LEU . 18.9 t-20 -92.35 63.19 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 3.5 mmt -34.23 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ASN . 23.9 m -56.6 -51.79 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG1' ' HE1' ' A' ' 87' ' ' TRP . 45.5 t -93.21 -40.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.96 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -113.3 -178.95 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.26 119.3 39.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.1 m -118.35 175.76 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 p -112.62 -179.19 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -60.51 -43.4 97.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -57.84 -67.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 49' ' ' SER . 78.0 m -49.79 -54.12 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.6 ' HA ' HG11 ' A' ' 59' ' ' VAL . 24.6 p -34.78 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -76.78 -43.57 17.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' CYS . 11.9 t -59.66 -59.01 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' ND2' ' A' ' 35' ' ' ASN . 31.1 mt -46.9 -45.72 20.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -55.71 -31.18 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.9 -28.33 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 45.1 mt -60.62 168.89 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 32.5 t30 -137.46 121.21 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.74 154.22 93.16 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.318 -0.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.12 15.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.8 -176.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -122.97 114.73 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.0 m -118.16 152.66 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' ' CE2' ' A' ' 67' ' ' PHE . 1.1 ptpp? -156.64 145.96 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 68.3 m -62.02 160.72 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 11' ' ' LEU . 36.3 mt -91.57 -40.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -104.04 -32.09 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 26.2 mtp -81.69 15.56 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.4 m -154.2 133.73 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.867 HG23 HD21 ' A' ' 8' ' ' LEU . 36.0 m -83.45 145.33 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 11' ' ' LEU . 33.1 m-85 -123.68 163.93 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 168.7 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.69 -54.69 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -52.61 -38.43 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.85 -58.07 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.66 HG21 ' SD ' ' A' ' 10' ' ' MET . 24.7 mm -42.43 -49.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -57.93 -55.24 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 t80 -44.72 -36.69 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.7 -63.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -47.27 -53.59 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -41.97 -36.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 82' ' ' VAL . 56.9 m80 -104.02 -75.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.58 161.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.94 -16.99 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.325 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.02 -65.92 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 78' ' ' HIS . 23.2 m -89.33 -35.73 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.84 -68.12 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' NZ ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -43.46 -65.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -44.95 -44.86 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.86 -29.74 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.7 m95 -92.64 -11.81 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.85 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -111.54 20.61 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.63 28.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.16 16.77 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 13.7 t80 -112.09 117.51 32.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.56 134.26 55.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.0 -35.09 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -75.48 -32.39 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -74.52 -70.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -96.63 161.32 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.2 153.56 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.583 HG23 ' HD2' ' A' ' 99' ' ' PRO . 37.8 mm -87.01 136.89 33.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 98' ' ' ILE . 54.0 Cg_endo -69.77 -171.34 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 166.31 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.14 -36.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -51.48 -34.03 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -105.67 125.82 32.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -42.9 3.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -47.1 -55.0 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -53.34 -56.63 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.441 HG12 HD12 ' A' ' 111' ' ' LEU . 97.7 t -50.41 -55.66 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -38.45 -51.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.55 -65.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.9 t80 -45.3 -41.01 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.89 HD21 ' OD1' ' A' ' 25' ' ' ASP . 16.7 mt -61.77 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 44.2 mt-30 -58.14 -58.15 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -56.54 -13.17 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -95.51 -34.18 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -118.01 -55.94 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -53.68 -39.93 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -106.55 -28.05 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp 59.57 48.12 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -56.07 -72.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.5 m-90 -84.54 48.23 1.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -93.55 124.48 37.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.36 105.01 2.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.734 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.67 68.6 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.4 Cg_endo -69.73 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.4 pt-20 -35.1 -36.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -98.34 -53.59 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.63 -51.91 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -132.47 171.64 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -108.78 117.38 34.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.38 67.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -16.93 37.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 97.3 p 42.81 42.71 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 m -113.67 116.59 29.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.821 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.486 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -141.54 121.77 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.805 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 p -146.29 149.37 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 -90.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 m -160.1 139.25 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -84.84 134.73 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.62 -48.29 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 -52.39 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -41.95 -57.15 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ASP . 14.8 mtt -65.03 -39.24 93.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.859 HD11 HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -36.1 -57.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -61.65 -39.08 90.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' MET . 4.4 t70 -45.52 -50.41 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.465 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 3.0 mpp? -58.48 -59.77 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.8 p -48.02 -38.0 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.83 64.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.987 HD13 ' NE2' ' A' ' 19' ' ' HIS . 77.6 mt -48.3 150.83 2.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.78 -36.19 11.19 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.987 ' NE2' HD13 ' A' ' 17' ' ' LEU . 6.5 p-80 -75.34 -10.88 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.694 ' ND2' ' CG ' ' A' ' 41' ' ' PHE . 4.0 m120 -97.93 -29.94 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 55.8 mmm-85 -36.98 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -130.4 161.79 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.57 179.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -98.48 -31.39 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' GLN . 27.9 p -84.09 7.08 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER 40.52 25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.1 tp-100 -59.6 119.05 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.46 78.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.38 70.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.98 52.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 p -133.85 15.17 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' HB3' HG23 ' A' ' 42' ' ' VAL . 12.0 m-85 -151.11 167.6 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 60' ' ' LYS . 13.4 m -137.56 143.87 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 38' ' ' VAL . 48.6 t30 -103.53 90.23 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.17 -46.32 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -49.62 -37.97 30.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 35' ' ' ASN . 5.0 t -118.85 19.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.4 34.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -105.67 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CG ' ' ND2' ' A' ' 20' ' ' ASN . 21.6 m-85 -116.95 110.22 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 50' ' ' LEU . 27.0 m -111.91 -175.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.11 178.92 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -53.89 -48.94 69.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.7 t -59.18 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' SER . 85.1 m -52.42 -59.06 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.6 p -34.91 -47.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 -35.76 58.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' CYS . 64.0 m -61.45 -46.15 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD11 HG11 ' A' ' 42' ' ' VAL . 17.0 mt -53.75 -31.62 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -57.53 -49.57 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.53 -33.68 12.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 75.7 mt -55.55 166.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 63.1 t-20 -137.94 119.99 10.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.66 0.743 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.72 156.52 92.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.345 -0.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 116.55 4.62 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.23 -178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -122.0 130.41 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.3 OUTLIER -132.58 150.09 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.701 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.4 ptmt -148.75 122.44 9.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 1.6 t -43.63 158.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.859 HG23 HD11 ' A' ' 11' ' ' LEU . 77.3 mt -90.95 -34.49 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -103.69 -49.13 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 3.0 mtt -57.17 -35.85 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.514 HG21 ' HE3' ' A' ' 60' ' ' LYS . 8.1 m -108.04 136.75 47.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -84.57 151.09 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 4.5 m-85 -122.91 162.45 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -123.85 156.33 36.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' THR . 55.9 tp60 -36.42 -61.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -38.82 -61.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.65 -49.4 65.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.7 mm -44.96 -53.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.22 -38.28 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.29 -45.88 91.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.84 -57.49 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 7.6 mt-30 -54.63 -44.19 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.16 -34.45 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 82' ' ' VAL . 33.1 m80 -98.86 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.66 159.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -66.42 -8.22 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -62.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' HIS . 22.4 m -89.71 -37.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.4 m -46.47 -68.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 ttpt -43.55 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -45.08 -46.56 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.42 -29.01 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.907 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.0 m95 -93.19 -12.68 29.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -112.94 18.82 17.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.69 -31.54 9.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 90' ' ' LEU . 12.7 mt -107.69 -34.09 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.13 144.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -157.81 113.54 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -50.59 -32.59 19.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -37.03 -47.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' SER . 58.7 m -121.77 -67.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' SER . 67.6 m -35.76 138.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.81 164.73 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 99' ' ' PRO . 28.5 mm -115.62 138.59 23.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.76 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.357 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.73 124.61 47.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 1.4 m-85 -74.6 -0.79 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 1.8 mpt_? -95.76 21.85 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.4 129.12 3.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.31 31.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -76.95 -37.89 54.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -76.68 -38.73 53.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 101' ' ' PHE . 77.2 t -74.91 -46.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -64.51 -54.2 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -52.49 -38.96 60.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.519 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.8 t80 -74.69 -43.79 53.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.59 -34.52 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLU . 41.2 mt-30 -66.03 -40.88 91.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.73 -14.75 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -110.76 -23.38 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.26 -52.66 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' GLN . 12.2 mm-40 -76.4 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -21.04 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt 46.28 37.29 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -45.83 -69.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' TRP . 1.2 m-90 -88.02 58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.67 113.18 26.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.73 108.47 9.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.01 66.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -44.06 2.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -53.66 -16.13 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -112.02 -45.47 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.84 -42.12 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -158.29 169.55 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.1 m -64.75 91.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.52 -95.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.0 m -122.99 42.66 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.5 p -171.4 160.79 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.461 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m 47.25 48.53 16.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -55.56 120.53 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.35 -170.72 34.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m 44.39 31.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -63.91 131.68 48.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 -57.94 4.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 66' ' ' THR . 3.7 mm? -53.56 -48.4 69.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -61.36 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASP . 63.6 mmm -59.74 -42.75 93.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -38.05 -47.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -58.61 -42.17 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' MET . 10.8 t70 -45.15 -52.42 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.582 ' HE1' HD12 ' A' ' 72' ' ' ILE . 2.1 mpp? -57.16 -65.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.6 p -44.99 -30.49 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.14 -49.76 75.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD13 ' NE2' ' A' ' 19' ' ' HIS . 15.2 mt -40.62 149.76 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.69 10.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -72.13 1.38 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . 42.2 m-20 -114.28 -33.61 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -37.24 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ASN . 79.0 mttt -122.01 178.68 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 1.8 t -71.49 174.92 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 3.9 t80 -105.05 -22.45 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.863 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -102.31 -62.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 p -93.66 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 38.4 m-20 49.31 26.08 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.34 148.75 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -90.38 98.62 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.37 68.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.96 36.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.7 p -130.4 19.06 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 13.5 m-85 -146.92 170.03 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.507 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 16.0 m -146.84 129.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.648 ' ND2' HG23 ' A' ' 38' ' ' VAL . 49.1 t30 -86.25 87.36 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.3 mmt -45.46 -48.13 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.0 m -50.32 -34.69 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG23 ' ND2' ' A' ' 35' ' ' ASN . 2.5 t -120.34 19.09 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 35.14 35.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 87.8 p -104.18 179.93 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 9.1 m-85 -117.6 108.53 15.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -112.64 -177.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 p -113.67 176.04 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.53 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 m -61.97 -31.7 72.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -68.44 -39.61 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -76.0 -36.23 59.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.6 p -44.29 -35.9 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.37 -34.98 30.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -69.0 -56.52 7.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 42' ' ' VAL . 26.1 mt -47.74 -49.34 28.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -58.63 -36.59 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.43 -28.17 59.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 38.5 mt -63.68 171.56 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 28.3 t30 -137.96 121.22 11.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.73 157.85 91.53 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.746 -1.772 . . . . 0.0 112.336 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -62.59 -176.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -119.58 125.83 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 154.26 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -154.76 136.72 14.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -55.52 147.14 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.519 ' CG2' HD11 ' A' ' 11' ' ' LEU . 70.4 mt -82.83 -38.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.165 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -99.53 -49.55 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 ttt -56.38 -37.66 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -107.78 131.07 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.442 ' CG2' HD21 ' A' ' 8' ' ' LEU . 1.3 m -82.87 149.2 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 2.3 m-85 -116.3 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -128.44 149.79 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' THR . 13.7 tm0? -34.42 -47.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -50.87 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 68' ' ' THR . 43.2 mt-10 -57.44 -44.42 84.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.887 HG22 ' NE2' ' A' ' 76' ' ' GLN . 38.7 mm -47.43 -52.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -51.9 -45.0 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -55.75 -56.5 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.4 -60.5 3.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.887 ' NE2' HG22 ' A' ' 72' ' ' ILE . 36.0 mt-30 -50.88 -44.39 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.32 -33.77 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.0 m80 -102.44 -75.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.82 158.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.42 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -65.04 -9.64 23.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 37.7 tt0 -55.22 -65.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 83' ' ' CYS . 34.9 m -88.78 -41.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.1 m -42.16 -68.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.5 ttpp -41.03 -66.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.7 -48.34 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 122' ' ' VAL . 59.4 mt -54.9 -30.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.879 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -15.71 26.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.879 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.76 24.16 13.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -53.55 -48.72 59.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.2 mt -86.62 -34.98 19.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.403 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 25.8 t80 -62.05 78.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 4.6 t70 -110.02 36.42 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 71.18 46.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -76.3 53.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m 58.74 35.3 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -93.96 -179.84 5.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.44 119.85 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.0 mm -76.84 132.22 71.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.84 155.6 65.24 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.95 176.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.75 37.19 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -127.07 -36.15 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -100.99 130.66 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.94 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -64.89 -46.9 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -65.54 -47.1 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.4 -41.51 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -62.91 -59.85 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -48.46 -41.96 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 t80 -69.8 -43.68 71.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 25' ' ' ASP . 13.7 mt -58.76 -33.19 70.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 25.8 mt-30 -63.46 -38.21 90.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.01 -13.04 62.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' NZ ' HD23 ' A' ' 111' ' ' LEU . 2.9 ttpm? -113.66 -11.14 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.01 -50.41 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLN . 9.4 mt-10 -81.89 -58.84 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -71.5 -26.52 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 55.59 39.61 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -50.8 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 2.6 m-90 -88.04 51.5 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.45 122.87 37.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 86' ' ' ILE . 90.2 t -149.83 105.23 3.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.74 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.7 66.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.2 Cg_endo -69.74 -36.77 10.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.388 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 124' ' ' PRO . 17.0 mt-10 -35.37 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 124' ' ' PRO . 6.0 tp-100 -101.84 -44.0 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -49.96 -45.52 51.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -115.48 118.87 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.5 m -43.49 113.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 113.57 108.92 2.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 168.82 20.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.9 t -86.45 82.23 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.8 p -71.89 83.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.497 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -86.23 123.9 32.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -112.35 119.4 38.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.31 -82.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 t -91.08 98.59 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -114.03 138.54 50.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 -44.09 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 66' ' ' THR . 2.9 mm? -61.99 -55.51 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.857 0.36 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.76 -35.95 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 83.8 mtp -76.07 -27.69 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 62' ' ' ILE . 2.5 tm? -60.92 -62.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -46.9 -37.1 8.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.23 -35.98 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.437 ' CE ' HG23 ' A' ' 72' ' ' ILE . 20.6 mtm -65.98 -57.54 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 p -55.89 -25.94 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -33.22 86.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.9 mt -47.75 153.14 1.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.616 0.722 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -44.3 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.752 2.301 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -72.29 1.05 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -127.21 39.04 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.19 -21.34 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -127.99 163.33 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.64 175.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -102.75 -22.21 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.753 ' OD1' HD21 ' A' ' 111' ' ' LEU . 5.7 m-20 -108.17 -66.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASP . 15.1 p -84.97 9.92 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t0 35.47 38.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 28.3 tt0 -76.35 145.18 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.59 110.72 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.52 66.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.97 29.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 57.1 p -128.83 25.26 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.469 ' HB3' HG23 ' A' ' 42' ' ' VAL . 11.7 m-85 -150.91 158.69 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.72 124.53 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.8 t-20 -83.67 109.73 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mmt -65.12 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -110.4 13.53 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 34.46 36.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 65.7 p -110.56 177.43 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.39 113.23 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 33' ' ' TYR . 19.3 m -123.35 -175.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.3 p -118.16 -177.98 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -62.67 -61.01 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -38.64 -51.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -71.31 -46.06 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.63 ' HA ' HG11 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -47.94 -40.28 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -32.63 66.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.0 p -76.81 -37.9 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.385 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.42 -35.06 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -65.59 -11.69 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.72 -38.49 23.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 72.5 mt -52.66 172.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -144.44 119.39 5.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 152.84 92.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.379 -0.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 135.96 31.8 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -75.81 178.85 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -112.06 113.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.4 m -120.56 120.69 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -123.48 127.55 48.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -43.73 155.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.445 HG23 HD11 ' A' ' 11' ' ' LEU . 30.7 mt -89.53 -40.23 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t -102.45 -51.89 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.412 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 10.8 tpt -55.11 -27.94 48.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -118.48 135.93 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 8' ' ' LEU . 28.7 m -91.69 159.14 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' N ' HG22 ' A' ' 66' ' ' THR . 89.2 m-85 -124.17 176.83 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.92 151.64 51.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -42.06 -37.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.35 -53.67 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG23 ' CE ' ' A' ' 14' ' ' MET . 32.5 mm -42.14 -66.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -41.82 -56.12 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -49.62 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.47 -53.27 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -45.25 -32.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 15.7 m80 -96.49 -75.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.63 158.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -65.22 -10.58 32.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.88 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.14 -35.68 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -45.66 -68.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.1 ttpp -40.81 -66.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -44.99 -50.74 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.36 -28.48 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.423 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.26 -19.06 21.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 mt -101.68 14.04 33.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -33.39 -41.99 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 119' ' ' ARG . 20.4 mt -100.98 -48.7 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 9.3 t80 -45.18 117.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 95' ' ' SER . 80.4 m-20 -118.87 158.33 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.38 -45.83 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -47.3 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 92' ' ' ASP . 37.4 t -45.33 -67.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 m -115.64 162.24 17.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.96 137.36 51.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 99' ' ' PRO . 23.3 mm -62.6 134.65 95.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.621 0.725 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo -69.75 -169.99 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.58 171.16 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -122.56 -33.17 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.62 -29.51 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -112.39 128.69 25.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -40.81 4.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -47.9 -50.28 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -56.77 -55.45 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.48 -44.49 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.05 -66.89 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.19 -61.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 6.1 t80 -44.83 -47.86 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' OD1' ' A' ' 25' ' ' ASP . 19.3 mt -59.92 -30.64 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.9 mt-30 -73.22 -44.08 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.39 -12.77 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -103.75 -24.72 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.6 ' HE2' HD22 ' A' ' 111' ' ' LEU . 25.3 m-85 -111.84 -54.28 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' GLN . 33.0 mm-40 -68.3 -58.35 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -27.52 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 47.0 49.02 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.473 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 8.0 ptm180 -66.84 -51.88 50.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.53 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.3 m-90 -84.8 8.23 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -65.88 130.77 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.5 t -153.36 109.38 2.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.66 60.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.75 19.82 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -50.88 -26.52 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -95.38 -64.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.31 -47.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' SER . 22.9 ttmt -102.65 148.52 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' LYS . 67.8 m -37.05 106.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -171.6 91.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.6 Cg_endo -69.73 -2.06 9.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' PRO . 47.1 t -36.57 147.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.9 p -125.39 167.28 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.468 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 m -97.98 -57.68 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -54.3 107.81 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.6 -45.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -49.64 -47.05 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -72.86 166.81 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.73 -63.2 2.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.5 mm? -48.15 -57.5 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -41.16 -38.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HE1' ' HG2' ' A' ' 69' ' ' GLN . 36.5 mtm -80.84 -33.94 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -55.4 -46.84 76.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -53.78 -56.91 13.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -43.97 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 mtm -58.96 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -51.89 -18.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' NE ' ' A' ' 21' ' ' ARG . . . -78.94 -29.8 49.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD13 ' NE2' ' A' ' 19' ' ' HIS . 66.5 mt -38.35 144.55 0.38 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -11.98 31.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.2 p-80 -104.05 2.65 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 17' ' ' LEU . 83.6 m-20 -120.74 -18.11 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mmt180 -35.16 -36.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASN . 30.5 mtmt -117.65 178.49 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.21 179.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -92.55 -43.37 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.564 ' CG ' HD11 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -96.19 -66.89 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 12.4 p -75.11 1.64 12.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 37.83 35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.4 tp60 -68.3 139.12 55.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -74.57 113.72 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.43 68.73 0.81 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.29 39.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -129.22 20.66 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.792 ' HB3' HG23 ' A' ' 42' ' ' VAL . 22.1 m-85 -147.86 161.32 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.8 m -143.83 121.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.606 ' ND2' HD13 ' A' ' 50' ' ' LEU . 22.0 t-20 -76.4 63.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 75' ' ' LEU . 81.5 mmm -33.75 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' ASN . 22.3 m -55.32 -53.27 58.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.35 -40.97 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.48 27.93 4.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 p -118.77 179.97 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -109.3 119.57 39.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.5 m -119.37 -176.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.75 179.79 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 15.1 t -60.45 -34.62 74.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -67.05 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.5 m -53.17 -47.74 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.534 ' HA ' HG11 ' A' ' 59' ' ' VAL . 49.8 p -44.37 -32.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.33 -28.59 43.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.2 t -76.99 -45.28 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.606 HD13 ' ND2' ' A' ' 35' ' ' ASN . 51.7 mt -52.6 -39.99 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.69 -32.35 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.58 -34.46 86.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 16.2 mt -57.07 173.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 18.8 t-20 -143.47 119.89 6.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.71 157.16 92.22 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.334 -0.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.43 47.89 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -86.77 178.4 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.8 tpt85 -110.32 140.68 44.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -148.25 133.48 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -136.1 121.52 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -44.66 151.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.6 mt -87.92 -31.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -98.66 -54.95 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 29.6 tpp -57.46 -38.95 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.2 m -112.22 132.23 55.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.423 HG23 HD21 ' A' ' 8' ' ' LEU . 23.5 m -94.26 154.66 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 66' ' ' THR . 27.1 m-85 -114.86 -175.53 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 t -131.71 153.35 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' HG2' ' HE1' ' A' ' 10' ' ' MET . 0.4 OUTLIER -38.53 -53.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.95 -60.77 2.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -53.91 -57.14 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.49 HG22 ' CD ' ' A' ' 76' ' ' GLN . 3.8 mm -36.97 -48.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -59.1 -47.27 85.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 t80 -57.04 -25.78 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 36' ' ' MET . 22.5 mt -89.54 -41.37 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' CD ' HG22 ' A' ' 72' ' ' ILE . 85.0 mt-30 -65.61 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -64.44 -23.78 67.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' VAL . 34.3 m80 -106.01 -75.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 163.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.84 -13.86 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 29.4 tt0 -50.97 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.7 m -93.42 -37.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -44.06 -68.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.4 ttpt -39.62 -66.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.6 -50.6 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.3 mt -52.07 -28.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.437 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.3 m95 -94.29 -17.2 22.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 114' ' ' LYS . 6.4 mt -104.4 15.35 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -31.97 -44.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.52 -43.11 6.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 2.6 t80 -56.7 94.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -119.72 40.08 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.59 43.68 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -114.52 -53.45 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.5 p -102.33 -45.08 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.8 t -91.61 158.65 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.42 169.59 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.6 mp -85.84 126.52 65.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.9 Cg_endo -69.73 -170.1 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.71 171.58 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 6.6 m-85 -124.62 -23.04 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.65 -14.85 61.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 108.11 40.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.89 -46.36 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.35 -50.07 49.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 111' ' ' LEU . 74.1 t -47.27 -42.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -53.42 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.82 -55.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -55.03 -43.17 73.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.564 HD11 ' CG ' ' A' ' 25' ' ' ASP . 13.2 mt -63.45 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 95.9 mt-30 -65.84 -38.36 88.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 16.2 mt-10 -65.04 -15.79 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -103.18 -24.24 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -107.94 -54.67 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 24.9 mm-40 -71.03 -56.89 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 5.7 mmmm -80.93 -25.84 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.3 mttt 45.42 42.39 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.552 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.0 ptm180 -61.91 -40.23 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.552 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 4.9 m-90 -97.12 22.93 7.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 122' ' ' VAL . 26.1 t80 -77.0 131.21 38.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 121' ' ' TYR . 53.6 t -159.09 105.02 1.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.5 68.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -40.47 5.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 124' ' ' PRO . 4.2 mp0 -35.72 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 124' ' ' PRO . 19.1 tt0 -105.08 -46.07 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -54.01 118.09 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -66.83 93.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.5 m -141.08 118.16 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 42.52 -150.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 107.64 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.6 t -68.62 100.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.7 p -125.74 110.91 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -46.45 135.27 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -46.61 130.12 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.52 92.16 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.759 ' HB3' HD13 ' A' ' 8' ' ' LEU . 16.4 m -48.42 113.28 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -73.96 143.62 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.81 -53.45 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' A' ' 5' ' ' SER . 3.6 mp -46.61 -44.67 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -42.11 -35.74 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LEU . 33.7 mtp -84.88 -47.39 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD12 ' CE ' ' A' ' 14' ' ' MET . 12.3 tp -37.0 -42.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -57.03 -56.38 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.57 -32.19 66.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.753 ' SD ' HG23 ' A' ' 72' ' ' ILE . 27.3 mtp -63.24 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.5 ' CG2' HG21 ' A' ' 62' ' ' ILE . 58.9 p -69.26 -12.11 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -92.78 -34.11 7.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.823 HD13 ' NE2' ' A' ' 19' ' ' HIS . 81.1 mt -35.87 153.65 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.7 2.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.823 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.0 p-80 -70.0 -9.57 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -118.29 34.86 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -90.66 -27.69 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -125.4 176.45 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' GLN . 2.2 t -71.73 174.02 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -94.74 -30.2 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' OD1' HD21 ' A' ' 111' ' ' LEU . 1.4 m-20 -102.47 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.76 8.24 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.569 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 m-20 38.82 33.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' CYS . 17.2 tt0 -75.64 144.03 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 2.4 tmm_? -83.14 134.44 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 93.66 53.71 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 53.9 Cg_endo -69.76 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.3 t -108.29 28.31 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.712 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.0 m-85 -149.43 159.15 44.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.97 132.61 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' GLY . 37.8 t-20 -82.93 114.68 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.89 -24.98 55.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -76.76 -45.92 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.8 -31.33 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 86.71 26.24 32.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.2 p -107.08 175.92 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -110.96 109.68 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -112.73 -177.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.7 p -115.64 177.12 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -57.68 -37.17 72.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.5 t -63.96 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' SER . 82.7 m -57.36 -51.8 67.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 59' ' ' VAL . 93.7 p -41.74 -28.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.8 -32.86 20.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -72.69 -47.55 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -48.53 -33.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -65.35 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.55 -31.47 74.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 112' ' ' GLN . 34.2 mt -58.21 171.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.429 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 57.6 t30 -138.03 120.31 10.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.73 157.62 91.79 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.332 -0.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.78 6.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -63.47 178.44 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -119.87 127.42 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 47' ' ' SER . 2.2 m -133.98 154.51 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -148.51 152.46 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 47.0 m -76.08 138.83 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG21 ' CG2' ' A' ' 15' ' ' THR . 17.7 mt -80.54 -28.37 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -104.05 -55.17 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.48 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 7.3 ttp -58.99 -34.59 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.3 m -118.34 138.04 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.679 ' OG1' HD11 ' A' ' 8' ' ' LEU . 8.5 t -83.18 -177.03 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.403 ' N ' ' OG1' ' A' ' 66' ' ' THR . 38.4 m-85 -144.02 -177.05 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.1 t -134.03 142.76 47.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -34.05 -49.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -50.71 -46.07 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 68' ' ' THR . 6.2 mm-40 -65.02 -61.09 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.753 HG23 ' SD ' ' A' ' 14' ' ' MET . 1.4 mp -35.97 -64.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -46.69 -52.4 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.27 -26.83 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.36 -51.62 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.91 -49.8 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -52.78 -27.2 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.4 m80 -101.43 -75.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.77 162.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -63.66 -10.8 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -53.83 -64.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.7 m -93.16 -33.23 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -47.2 -68.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -41.3 -65.81 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -45.18 -50.1 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.76 -31.07 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.798 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -92.14 -14.27 29.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.5 mt -109.67 25.24 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.37 -47.62 68.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.52 14.97 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -106.56 118.81 37.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.97 130.23 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.93 -43.03 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -75.31 -49.28 19.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -52.51 -61.74 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.3 m -101.74 179.56 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.46 168.22 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.2 mm -110.28 130.97 22.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.38 162.99 14.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.1 m-85 -115.19 42.97 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -130.36 -38.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.95 117.4 64.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.67 31.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -76.82 -57.73 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.08 -41.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -58.74 -48.63 80.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -57.92 -53.46 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -56.96 -45.59 82.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD21 ' OD1' ' A' ' 25' ' ' ASP . 15.0 mt -58.38 -37.01 74.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.694 ' HG2' HD22 ' A' ' 53' ' ' LEU . 64.6 mt-30 -61.71 -43.19 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.02 -12.62 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 13.8 ttmt -98.23 -29.09 13.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.479 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 6.9 m-85 -118.08 -56.15 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 112' ' ' GLN . 11.0 mt-10 -58.36 -35.0 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -111.5 -19.89 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HD3' ' CG ' ' A' ' 121' ' ' TYR . 31.9 mttt 48.25 49.11 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.12 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -87.01 45.58 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.509 ' CG ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t80 -89.75 106.63 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.61 102.66 12.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 154.79 67.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -38.6 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -38.8 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' PRO . 16.6 mt-30 -98.3 -37.86 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -50.66 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -114.9 -72.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -171.9 155.56 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 150.27 159.0 8.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.42 42.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.1 m -69.32 131.15 44.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 m -103.68 148.56 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.492 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -58.55 161.44 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -103.45 154.6 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.56 -72.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -119.38 123.5 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -62.87 136.76 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.27 -54.5 4.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 8' ' ' LEU . 3.9 mm? -46.05 -51.38 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -44.23 -59.51 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.74 -47.69 85.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 62' ' ' ILE . 19.5 tp -40.28 -56.7 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -48.81 -44.46 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -46.1 -46.07 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mpp? -62.84 -58.61 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -43.41 -33.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -63.93 -46.03 92.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.577 HD12 HD22 ' A' ' 20' ' ' ASN . 71.6 mt -37.81 153.8 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.5 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 17' ' ' LEU . 23.5 p-80 -65.04 -10.44 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.577 HD22 HD12 ' A' ' 17' ' ' LEU . 81.7 m-20 -116.97 34.02 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 21.8 mmm180 -87.96 -39.63 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -123.89 -176.72 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.18 175.74 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.5 t80 -96.36 -24.61 16.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -106.73 -70.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.27 -5.9 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' HB2' ' A' ' 22' ' ' LYS . 2.5 m-20 45.77 44.58 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.97 103.37 13.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -43.78 125.32 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 61.02 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.13 59.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.778 HG23 ' HD1' ' A' ' 33' ' ' TYR . 5.3 t -131.62 19.0 4.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.778 ' HD1' HG23 ' A' ' 32' ' ' THR . 29.4 m-85 -148.41 160.09 43.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.44 118.49 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.626 ' ND2' HG23 ' A' ' 38' ' ' VAL . 36.7 t30 -72.58 101.15 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.3 mmt -56.1 -46.0 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 m -50.36 -47.98 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.626 HG23 ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -105.99 17.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.46 37.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.6 p -108.07 177.34 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.05 114.47 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 33' ' ' TYR . 28.8 m -120.04 177.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.11 177.79 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -60.95 -34.85 75.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -64.73 -67.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' SER . 39.5 m -57.76 -52.56 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.622 ' HA ' HG11 ' A' ' 59' ' ' VAL . 66.7 p -35.55 -44.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.17 -39.39 83.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -66.97 -52.04 47.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 53' ' ' LEU . 8.5 mt -42.11 -37.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -62.61 -41.52 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.06 -31.67 48.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 50' ' ' LEU . 33.9 mt -51.44 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 11.5 t-20 -137.44 116.09 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.76 159.02 90.39 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.57 28.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.09 -177.04 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -118.35 130.21 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.4 m -134.13 145.17 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -148.57 121.67 8.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -45.57 157.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.918 HG23 HD21 ' A' ' 11' ' ' LEU . 88.0 mt -90.95 -45.09 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -92.22 -50.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.0 tpp -57.95 -37.33 73.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m -112.79 135.94 52.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 t -85.49 169.46 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -134.11 160.64 37.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 t -114.98 161.33 18.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -40.77 -44.92 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.85 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -52.88 -59.78 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.0 mm -38.18 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.78 -42.96 85.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -56.08 -46.37 79.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -57.4 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 37.2 mt-30 -54.68 -41.61 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -53.95 -27.65 32.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -110.12 -75.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.71 158.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -58.52 -18.34 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.97 -64.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' HIS . 28.1 m -92.25 -37.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.43 -68.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.1 ttpt -40.64 -67.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -44.15 -50.68 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.06 -29.54 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 88' ' ' LEU . 94.5 m95 -93.53 -15.39 25.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 87' ' ' TRP . 3.0 mt -111.27 26.06 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.4 -50.11 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.95 -34.89 16.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 6.9 t80 -57.4 122.85 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -131.73 111.97 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -39.54 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -39.68 -47.65 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -103.15 -72.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 p -51.27 178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.38 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.2 mm -90.97 126.26 56.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.29 24.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.19 162.01 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -115.2 33.06 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -117.56 -36.79 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.99 125.12 45.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -17.84 37.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.741 2.294 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.0 -49.16 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 6.2 mmmm -67.23 -44.25 79.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.08 -45.83 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -58.43 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.6 pt-20 -48.68 -41.94 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.5 t80 -66.25 -54.82 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.501 HD21 ' OD1' ' A' ' 25' ' ' ASP . 13.0 mt -52.6 -46.37 66.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 116' ' ' GLU . 82.0 mt-30 -62.13 -44.01 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -62.88 -12.55 25.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.692 ' HE3' HD21 ' A' ' 88' ' ' LEU . 7.6 ttmm -103.03 -24.01 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 15.1 m-85 -116.4 -56.02 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -61.95 -51.46 68.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -91.81 -28.04 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 18.7 mttp 56.15 37.2 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 120' ' ' TRP . 58.9 ttt85 -48.84 -71.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.468 ' CE2' ' HD3' ' A' ' 119' ' ' ARG . 1.8 m-90 -81.9 40.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 28.8 t80 -85.48 121.11 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -145.53 106.34 4.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 148.41 64.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.6 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' PRO . 14.9 mm-40 -34.53 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 34.1 mm-40 -98.43 -39.66 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -60.58 93.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' ALA . 23.5 mttm -37.55 143.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -107.43 138.43 43.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 131' ' ' PRO . . . -62.05 -62.95 5.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 130' ' ' GLY . 53.6 Cg_endo -69.82 147.49 62.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.9 t -82.65 143.86 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 t 62.72 42.08 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.523 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -105.4 -57.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -157.31 155.53 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.87 174.4 15.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t 53.5 39.87 30.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -112.45 -58.63 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.67 93.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.58 -46.67 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -47.73 -48.1 29.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LEU . 5.1 mtt -53.94 -47.37 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER -37.6 -58.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -43.94 -44.55 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.35 -46.87 73.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.457 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.0 mpp? -60.37 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.5 p -46.83 -37.01 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -52.62 -49.34 53.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.747 HD13 ' NE2' ' A' ' 19' ' ' HIS . 42.4 mt -36.55 151.69 0.11 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.64 21.96 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.747 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.8 p-80 -83.41 -0.69 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 93.4 m-20 -127.25 35.38 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -93.27 -29.76 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -128.12 172.18 11.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.87 174.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.74 -25.51 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.974 ' CG ' HD21 ' A' ' 111' ' ' LEU . 4.8 m-20 -108.57 -68.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ASP . 17.8 p -75.94 5.57 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.7 m-20 35.22 49.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -91.81 119.44 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -57.44 133.53 55.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.43 55.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.84 13.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.757 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.1 t -116.01 25.12 10.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.757 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.1 m-85 -150.91 163.71 38.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.33 124.75 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -74.04 108.75 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -66.82 -30.35 70.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -73.25 -63.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.65 -29.22 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.82 27.73 40.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 p -113.26 -179.69 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 23.0 m-85 -108.07 117.93 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.7 m -120.35 -178.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.0 -178.33 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -67.26 -27.48 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.4 t -70.93 -67.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 60.6 m -55.53 -47.96 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.744 ' HA ' HG11 ' A' ' 59' ' ' VAL . 23.5 p -38.56 -44.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 -34.72 61.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.7 m -70.0 -53.9 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD22 ' ND1' ' A' ' 57' ' ' HIS . 5.0 mt -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -58.97 -41.38 87.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -49.89 -36.21 26.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 116' ' ' GLU . 32.1 mt -57.91 173.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.5 t30 -137.41 121.46 12.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.8 155.74 93.23 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.384 0.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.95 4.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' ND1' HD22 ' A' ' 50' ' ' LEU . 19.8 m170 -63.51 173.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -113.45 128.84 56.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.744 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.4 OUTLIER -131.95 139.88 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -139.09 137.23 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -57.93 152.07 16.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.36 -36.51 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 m -103.26 -47.77 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.57 -37.68 88.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 m -110.98 144.63 39.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -98.45 171.7 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -137.5 166.29 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.594 HG22 ' OE1' ' A' ' 71' ' ' GLU . 2.6 t -108.69 161.9 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.47 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 48.9 tp60 -45.3 -65.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.1 pt20 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.594 ' OE1' HG22 ' A' ' 68' ' ' THR . 70.1 mt-10 -64.24 -54.34 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG23 ' CE ' ' A' ' 14' ' ' MET . 38.2 mm -45.19 -57.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 11.4 mm-40 -53.8 -60.53 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -41.76 -33.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.72 -44.07 34.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -66.0 -50.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -47.96 -30.25 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.527 ' O ' HG22 ' A' ' 82' ' ' VAL . 29.7 m80 -100.8 -75.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 58.4 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.91 -17.02 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -49.95 -61.96 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.0 m -93.21 -37.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.89 -68.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.7 ttpp -39.8 -66.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -44.59 -51.06 9.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -52.06 -28.4 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.417 ' C ' HD23 ' A' ' 88' ' ' LEU . 96.9 m95 -94.03 -20.2 20.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 6.0 mt -102.33 20.55 16.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.93 -49.44 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.42 -32.4 14.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.22 98.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' ASP . 18.6 t0 -115.37 41.94 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASP . 5.8 m-20 34.33 37.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 92' ' ' ASP . 8.0 mmp_? -120.01 -62.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.0 t -97.14 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.9 p -172.62 158.57 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.59 128.05 49.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.421 HG23 ' HD2' ' A' ' 99' ' ' PRO . 46.3 mm -58.52 132.45 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.651 0.739 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo -69.76 -178.64 2.44 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.62 160.8 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.05 -38.44 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -49.24 -35.2 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.9 135.82 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -42.15 -55.68 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -49.63 -44.16 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 111' ' ' LEU . 58.0 t -69.9 -37.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -58.14 -61.77 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -48.3 -56.11 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.1 t80 -57.56 -39.52 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.974 HD21 ' CG ' ' A' ' 25' ' ' ASP . 13.6 mt -60.32 -42.88 96.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.8 mt-30 -58.08 -56.98 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.52 -13.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -91.12 -37.52 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.722 ' HE2' HD22 ' A' ' 111' ' ' LEU . 2.6 m-85 -117.97 -55.02 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.612 ' HG2' HD22 ' A' ' 53' ' ' LEU . 6.9 mm-40 -49.66 -44.39 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -105.76 -26.94 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.48 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 21.0 mttp 60.04 54.96 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -60.71 -69.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.1 m-90 -85.96 39.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.48 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 14.7 t80 -82.13 108.8 15.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.56 105.01 8.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.5 56.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.02 27.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.65 -35.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -86.02 -31.87 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.53 151.39 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 51.32 41.36 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 42.8 t -72.67 135.29 45.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.36 42.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.36 18.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 m -99.13 44.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 t -127.14 121.21 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.475 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -89.35 84.52 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -74.9 149.21 39.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.07 -107.48 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 57.96 52.57 7.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -48.53 -60.1 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.48 -57.45 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 66' ' ' THR . 4.2 mm? -41.61 -60.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -37.44 -52.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.63 ' CB ' HG21 ' A' ' 72' ' ' ILE . 88.2 mmm -52.16 -45.05 64.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -42.2 -48.68 4.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 43.8 mtm180 -56.69 -57.13 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -35.63 -47.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 mpp? -56.61 -56.91 15.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.3 p -51.66 -35.63 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -53.65 -51.27 49.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD12 HD22 ' A' ' 20' ' ' ASN . 32.3 mt -35.55 151.34 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HA ' ' CG ' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.79 -36.94 9.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.7 p-80 -73.43 -22.03 60.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.705 HD22 HD12 ' A' ' 17' ' ' LEU . 92.0 m-20 -106.02 39.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 16.8 mmm180 -96.56 -27.39 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -123.6 175.91 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.48 176.02 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -97.48 -30.4 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.58 -70.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 13.3 p -69.42 -4.41 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 43.33 40.2 2.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 48.1 tt0 -80.09 163.31 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 50.7 ttp180 -94.53 111.2 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.27 65.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 62' ' ' ILE . 53.7 Cg_endo -69.74 124.6 11.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.827 ' HA ' HD12 ' A' ' 62' ' ' ILE . 68.3 p -117.33 23.36 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.163 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.541 ' HB3' HG23 ' A' ' 42' ' ' VAL . 9.9 m-85 -149.7 166.5 29.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 41' ' ' PHE . 15.8 m -152.16 122.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.67 111.8 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mmm -71.95 -26.92 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.4 m -70.74 -53.03 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -85.06 -31.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.21 28.48 20.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 p -112.08 177.99 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 16.4 m-85 -111.36 114.81 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' A' ' 33' ' ' TYR . 29.6 m -119.51 -175.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 p -114.08 176.01 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' CE1' ' A' ' 33' ' ' TYR . 1.7 m -59.84 -41.56 91.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.29 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' SER . 71.0 m -57.48 -54.81 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.57 ' HA ' HG11 ' A' ' 59' ' ' VAL . 53.0 p -38.13 -35.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.3 -39.69 51.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.5 m -67.52 -53.46 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD22 ' ND1' ' A' ' 57' ' ' HIS . 3.7 mt -40.07 -45.09 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -49.95 -43.67 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.12 -30.94 25.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 116' ' ' GLU . 53.7 mt -55.7 172.99 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -144.71 116.31 5.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.54 91.06 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.319 -0.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 120.71 7.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.4 m170 -59.53 173.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -110.46 115.14 29.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.8 m -124.03 142.63 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -141.71 128.16 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -54.08 158.61 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' THR . 91.9 mt -88.96 -37.6 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.9 p -103.34 -50.53 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.0 mmm -59.94 -24.61 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -125.13 148.36 48.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 8' ' ' LEU . 11.9 t -100.12 176.2 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -144.35 169.22 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.52 HG22 ' OE2' ' A' ' 71' ' ' GLU . 8.0 t -126.17 147.18 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.157 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' THR . 0.2 OUTLIER -34.36 -53.87 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -44.15 -46.07 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' HG22 ' A' ' 68' ' ' THR . 42.6 mt-10 -76.66 -41.89 43.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.63 HG21 ' CB ' ' A' ' 10' ' ' MET . 44.4 mm -48.65 -58.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.36 -55.81 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.2 t80 -46.17 -34.46 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -25.65 41.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 18.8 mt-30 -80.61 -46.71 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.11 -15.3 5.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.6 m80 -111.53 -76.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.38 159.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.52 -13.61 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -52.66 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.4 m -91.57 -38.86 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.66 -68.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.1 tttt -40.33 -65.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLY . 29.9 mt-30 -43.77 -50.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 122' ' ' VAL . 75.2 mt -51.97 -36.78 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.937 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -86.43 -12.87 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.937 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -115.24 14.78 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -55.34 -41.68 80.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 122' ' ' VAL . 11.8 mt -93.12 -24.94 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 120' ' ' TRP . 5.2 t80 -41.61 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' ASP . 6.1 m-20 -122.02 130.72 53.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -34.12 -69.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' ASP . 36.0 mtp85 35.65 42.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t 69.51 43.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 93' ' ' ASP . 48.9 m -120.35 149.69 41.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.67 157.43 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 99' ' ' PRO . 48.6 mm -74.66 136.78 74.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.74 173.21 11.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.83 159.55 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 12.3 m-85 -111.79 -39.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -43.84 -26.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -114.29 120.43 38.31 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -19.72 35.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.79 -44.86 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -67.3 -48.87 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.07 -38.33 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -51.6 -56.3 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -54.05 -65.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.442 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 12.2 t80 -44.4 -47.19 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.419 HD22 ' HE2' ' A' ' 115' ' ' TYR . 14.3 mt -52.8 -53.14 52.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.494 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 94.5 mt-30 -50.71 -52.99 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 38.9 mm-40 -58.15 -12.65 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -93.07 -35.76 13.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.419 ' HE2' HD22 ' A' ' 111' ' ' LEU . 6.8 m-85 -118.44 -56.04 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.554 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.4 mt-10 -52.22 -38.64 58.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 25.4 mmtt -109.89 -21.22 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 mttp 54.21 47.13 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -53.33 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 1.5 m-90 -89.02 47.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -90.89 109.4 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 86' ' ' ILE . 54.5 t -128.75 107.68 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.44 63.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.7 -38.84 7.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.751 2.301 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 126' ' ' GLN . 6.8 pt-20 -36.03 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 125' ' ' GLU . 1.1 tm0? -92.26 -44.87 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.94 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -101.05 110.16 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -129.21 176.82 7.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -126.61 -95.96 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 105.13 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 139.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.7 t -112.82 80.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.502 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -95.22 94.49 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -69.81 126.46 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 52.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -68.45 -49.28 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m 49.04 41.23 18.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.52 -54.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.92 -43.53 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -53.25 -38.82 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtm -74.13 -48.3 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -45.69 -62.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -41.48 -29.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.01 -40.67 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 29.7 mtm -65.14 -63.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 t -56.02 -15.66 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.62 -33.96 41.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.723 HD13 ' NE2' ' A' ' 19' ' ' HIS . 13.7 mt -41.08 152.54 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.1 Cg_endo -69.82 -22.38 31.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.723 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.1 p-80 -87.14 -1.97 58.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -120.14 -14.5 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 18.7 mmm180 -40.28 -33.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -117.77 158.17 25.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 2.5 t -55.17 173.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 22.4 t80 -95.0 -22.05 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.62 -66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 p -82.38 4.51 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 1.0 OUTLIER 44.17 26.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLY . 39.3 tt0 -62.65 108.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.73 85.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 140.94 66.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.9 26.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.8 t -126.65 18.56 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 32' ' ' THR . 20.2 m-85 -149.64 165.55 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.444 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 3.3 m -140.9 137.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' THR . 15.7 t-20 -92.63 75.98 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 75' ' ' LEU . 83.0 mmm -43.11 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' ASN . 61.4 m -68.57 -53.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 48.4 t -88.44 -46.78 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.29 5.61 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p -109.16 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 3.3 m-85 -109.89 100.41 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 50' ' ' LEU . 34.8 m -103.2 -175.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.07 -178.04 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 0.6 OUTLIER -62.91 -51.34 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -48.81 -49.15 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.58 -30.97 66.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.8 p -49.61 -34.34 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.5 -30.39 30.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -75.69 -22.51 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 42' ' ' VAL . 16.0 mt -87.57 -40.34 14.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -77.08 -8.3 57.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.53 -20.55 54.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.12 178.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 10.4 t-20 -138.76 115.34 8.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.73 156.16 92.83 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.05 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -81.9 -178.53 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -116.99 127.53 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -136.07 130.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -127.99 134.42 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.9 m -54.57 147.78 13.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -81.91 -33.35 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.1 p -103.13 -53.87 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 tpp -56.08 -42.72 77.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -108.26 138.88 43.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.6 p -92.32 -175.03 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CZ ' HG21 ' A' ' 34' ' ' VAL . 92.3 m-85 -143.82 -176.97 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 71' ' ' GLU . 2.8 t -131.38 148.84 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 12.0 tm0? -36.67 -56.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -45.98 -58.92 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 68' ' ' THR . 16.8 mm-40 -59.78 -57.15 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mm -36.86 -55.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 22.8 mm-40 -56.08 -56.18 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 t80 -44.72 -30.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 36' ' ' MET . 32.6 mt -85.73 -29.65 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.4 mt-30 -75.63 -38.02 59.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -69.72 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.639 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.9 m80 -112.42 -75.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.7 158.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.7 m-20 -61.19 -13.1 15.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.72 -60.99 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.2 m -93.01 -32.65 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.26 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -39.02 -63.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.53 -50.14 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.0 mt -52.08 -36.91 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.839 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.1 m95 -85.9 -14.42 44.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.839 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -110.44 17.79 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.68 -44.86 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.31 -18.06 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.2 t80 -71.69 124.63 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.53 -177.3 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.77 -37.09 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 95' ' ' SER . 5.4 ptt85 -88.41 -33.45 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.48 ' N ' ' HG2' ' A' ' 94' ' ' ARG . 49.3 m -66.78 -50.63 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -128.25 156.74 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.89 158.48 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 99' ' ' PRO . 26.9 mm -88.47 134.11 35.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.709 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.74 -173.71 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -93.71 155.72 17.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 49.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -134.34 -35.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.24 133.1 20.47 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.667 0.746 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.38 16.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.7 -51.21 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -61.51 -49.01 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.1 -39.46 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG2' ' NE2' ' A' ' 112' ' ' GLN . 7.9 ttmt -64.81 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -45.46 -33.39 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 2.9 t80 -79.2 -48.82 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.18 -37.83 70.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 80.3 mt-30 -60.4 -56.73 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 46.7 mm-40 -57.21 -13.19 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 35.0 tttt -94.24 -35.48 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.97 -55.58 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.3 mm-40 -54.9 -31.59 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER -114.49 -26.91 7.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 56.77 49.8 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -60.93 -70.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.48 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.4 m-90 -82.31 49.3 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -90.99 127.41 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 86' ' ' ILE . 82.8 t -153.73 104.99 2.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.49 69.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.7 Cg_endo -69.74 -34.18 15.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 40.4 mt-10 -35.23 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 84.2 mt-30 -96.79 -35.58 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -92.2 71.75 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -121.12 -47.58 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.1 t 52.13 40.14 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -164.93 -129.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 154.65 67.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m 54.94 41.86 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 p -45.48 -46.54 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -138.89 155.03 48.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -103.92 172.77 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.17 -67.49 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -87.34 96.01 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -158.42 139.16 12.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 -58.18 3.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 66' ' ' THR . 4.2 mp -47.57 -46.86 28.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -48.4 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 mmm -56.97 -36.09 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 11' ' ' LEU . 1.4 tm? -38.68 -65.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -41.59 -38.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.84 -46.61 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.688 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.1 mpp? -63.26 -57.57 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.2 p -51.14 -29.95 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.38 95.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' A' ' 19' ' ' HIS . 24.9 mt -46.25 153.07 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.09 2.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' NE2' HD13 ' A' ' 17' ' ' LEU . 14.7 p-80 -70.3 -1.1 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -124.25 34.32 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.49 -20.86 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -131.73 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.1 t -56.02 171.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -96.21 -26.21 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.25 -69.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.96 3.18 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.34 36.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.5 151.39 45.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.48 102.81 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.59 67.33 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.09 22.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.1 p -124.79 22.73 8.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -151.01 162.7 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.46 122.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' GLY . 17.5 t-20 -79.65 86.08 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.7 mmm -43.47 -47.64 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.1 m -52.32 -41.39 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -108.35 14.54 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 39.1 32.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -108.47 166.64 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -105.0 115.7 30.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 33' ' ' TYR . 13.2 m -122.28 -178.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.45 179.42 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 9.3 t -62.88 -40.18 96.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 44' ' ' THR . 17.0 t -58.52 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' SER . 69.1 m -55.29 -56.72 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.435 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.5 p -36.5 -36.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.58 75.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' CYS . 31.7 m -68.92 -50.56 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 11.2 mt -41.21 -41.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -60.5 -42.75 96.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.38 -35.02 20.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 68.9 mt -51.96 168.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -137.95 117.74 10.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.31 89.87 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.363 -0.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 24.6 m170 -65.14 -175.99 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -123.48 126.25 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -132.3 135.37 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -131.47 119.83 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 5.8 m -45.19 155.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.3 mt -90.48 -34.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -102.84 -46.72 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 2.8 mpp? -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -110.35 138.51 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 8' ' ' LEU . 31.8 p -91.6 -178.73 5.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -138.62 179.94 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 71' ' ' GLU . 4.1 t -132.61 153.12 51.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' THR . 32.8 tp60 -38.45 -54.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -49.85 -57.23 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.523 ' H ' HG23 ' A' ' 68' ' ' THR . 75.2 mt-10 -57.84 -56.65 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.688 HG23 ' CE ' ' A' ' 14' ' ' MET . 47.1 mm -36.91 -63.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -50.28 -56.63 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.0 -41.1 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.7 mt -69.4 -50.64 44.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -56.51 -53.97 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -45.94 -34.75 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.5 m80 -96.82 -75.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.93 160.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -61.68 -15.65 41.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -48.48 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.91 -37.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -43.39 -67.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 ttpt -41.05 -67.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -43.9 -49.4 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.07 -30.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.461 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -92.34 -12.41 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 87' ' ' TRP . 7.5 mt -108.59 20.65 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.35 -56.06 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.3 mt -81.48 -41.08 22.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.718 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 17.4 t80 -59.74 94.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -122.53 48.49 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t70 52.02 39.07 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -86.91 43.94 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.2 t 62.85 35.03 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.413 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 19.3 m -70.04 -175.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.98 119.54 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.718 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 32.9 mm -128.65 135.18 27.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.73 155.73 65.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' PHE . 1.1 m-20 -85.87 31.61 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' ASP . 1.6 m-85 35.9 44.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -127.7 -30.21 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 17.3 m-20 -114.11 129.61 24.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -26.79 27.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -68.74 -45.94 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.47 -44.81 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.18 -53.29 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -47.17 -52.35 15.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.86 -50.11 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.2 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.2 -35.21 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 116' ' ' GLU . 27.7 mt-30 -68.21 -36.54 79.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -72.13 -12.05 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.413 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 9.1 tttp -97.13 -32.02 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.41 ' HE2' HD21 ' A' ' 50' ' ' LEU . 4.5 m-85 -118.29 -47.37 2.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.26 -33.4 75.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -114.51 -25.36 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 121' ' ' TYR . 18.3 mtpt 55.62 45.02 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -55.22 -69.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -84.07 43.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 22.6 t80 -89.24 115.41 26.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.1 t -142.45 105.0 5.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.23 68.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.79 6.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -41.5 -32.91 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -105.75 -40.27 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.5 -175.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 136.98 50.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 t -98.81 83.29 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 82.41 115.23 0.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.57 5.42 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 133' ' ' SER . 17.0 t -110.9 142.6 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 132' ' ' SER . 31.6 t -36.7 135.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.514 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -160.2 149.47 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -65.61 90.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.83 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 m -54.33 114.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 -66.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.24 -56.65 14.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.859 HD11 ' HB ' ' A' ' 66' ' ' THR . 3.8 mp -46.55 -42.47 15.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -46.71 -51.63 15.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.579 ' HB2' HG21 ' A' ' 72' ' ' ILE . 74.6 mmm -53.27 -39.24 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -42.78 -48.69 5.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.37 -55.24 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.78 -42.03 24.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.486 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 31.7 mtm -63.64 -53.75 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -51.6 -31.39 24.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.01 95.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 ' NE2' ' A' ' 19' ' ' HIS . 19.3 mt -38.7 145.71 0.34 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.639 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -73.23 1.43 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' LYS . 58.6 m-20 -117.25 -26.44 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -40.71 -27.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.5 mtmp? -123.75 171.65 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' GLN . 1.8 t -73.01 -179.9 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -96.28 -38.18 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CG ' HD21 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -99.26 -69.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 18.6 p -73.56 2.0 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 42.89 31.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' CYS . 3.2 tp-100 -69.93 144.09 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -84.71 113.65 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.08 66.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.6 35.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 65.2 p -124.97 18.33 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' HB3' HG23 ' A' ' 42' ' ' VAL . 19.1 m-85 -146.35 168.32 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -144.38 131.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' CG ' HG22 ' A' ' 37' ' ' THR . 21.3 t30 -84.01 83.0 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mmm -57.29 -17.76 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 HG23 ' A' ' 38' ' ' VAL . 1.7 t -77.99 -17.81 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.753 HG23 HG23 ' A' ' 37' ' ' THR . 69.4 t -126.02 -55.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.73 18.3 2.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -106.76 176.6 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.02 112.47 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 33' ' ' TYR . 26.8 m -109.07 177.32 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.97 176.67 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.405 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 5.6 m -57.31 -32.77 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -69.64 -67.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.57 -41.74 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.775 ' HA ' HG11 ' A' ' 59' ' ' VAL . 95.3 p -47.88 -33.74 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA2' ' NH2' ' A' ' 51' ' ' ARG . . . -85.79 -29.25 26.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 -46.85 46.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.82 -29.41 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' NH2' ' HA2' ' A' ' 48' ' ' GLY . 27.1 mtm105 -67.97 -44.73 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.61 -33.8 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.641 HD22 ' HG3' ' A' ' 116' ' ' GLU . 61.7 mt -55.45 170.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -141.33 117.37 7.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 160.46 87.92 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.366 -0.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.34 62.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 37' ' ' THR . 11.7 m170 -84.09 -174.87 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.95 119.62 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 47' ' ' SER . 6.5 m -132.26 136.94 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 65' ' ' THR . 14.2 mtpp -138.1 126.75 23.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 2.8 p -43.13 154.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' CA ' ' A' ' 33' ' ' TYR . 64.9 mt -92.39 -47.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 m -94.28 -33.73 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.8 ttt -81.46 16.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE3' ' A' ' 60' ' ' LYS . 33.6 m -160.66 139.82 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.859 ' HB ' HD11 ' A' ' 8' ' ' LEU . 61.7 p -95.12 148.86 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -121.73 163.79 18.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HG3' ' A' ' 71' ' ' GLU . 9.3 t -117.79 157.18 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 68' ' ' THR . 4.7 tp-100 -34.59 -53.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.48 -63.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 68' ' ' THR . 18.6 mt-10 -55.04 -43.64 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' A' ' 10' ' ' MET . 29.7 mm -54.45 -65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -49.59 -35.31 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t80 -66.34 -32.5 73.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.75 -27.43 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 82.6 mt-30 -78.96 -39.32 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -67.15 -21.61 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 24.9 m80 -105.08 -75.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.15 167.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.82 -7.85 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.45 -61.01 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 83' ' ' CYS . 21.1 m -93.11 -45.25 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 82' ' ' VAL . 6.6 m -37.22 -68.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.94 -64.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -45.05 -48.03 11.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.7 -28.94 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.818 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -93.44 -14.78 26.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.818 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -109.35 14.32 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.24 -53.6 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.1 mt -85.17 -38.68 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.14 104.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . 0.7 OUTLIER -109.18 -15.32 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.3 OUTLIER 73.41 34.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -74.64 -55.31 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t -114.08 -41.09 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 p -56.35 175.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.72 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.3 mp -81.14 132.13 57.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.61 176.73 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -127.56 -31.17 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.43 -26.54 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.07 123.03 38.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.825 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.63 12.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.632 2.222 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -52.93 -44.97 67.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -65.94 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 111' ' ' LEU . 59.1 t -48.78 -36.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -56.57 -59.3 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -50.72 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 4.4 t80 -47.12 -43.7 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 107' ' ' VAL . 12.4 mt -58.26 -38.59 77.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 68.2 mt-30 -59.49 -56.17 25.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.36 -12.81 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.525 ' HZ1' HD21 ' A' ' 88' ' ' LEU . 33.4 tttt -95.87 -33.55 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -117.54 -55.92 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.641 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.3 mt-10 -54.55 -42.25 70.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -105.96 -22.22 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.8 mttt 51.73 47.84 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -53.99 -67.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -87.05 54.26 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -95.98 102.38 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.58 101.42 24.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 0.0 112.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -43.84 -32.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -105.27 -53.24 2.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.2 164.35 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.0 p -52.84 -50.74 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 50.84 86.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.8 p -163.06 119.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.0 m -57.78 115.9 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.448 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.25 -40.27 11.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -52.76 -38.97 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -76.5 -28.9 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 62' ' ' ILE . 2.8 tt -67.98 -59.81 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -46.34 -22.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.12 -34.26 32.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 41.8 mtm -68.02 -60.98 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -62.4 -11.39 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.68 -34.82 27.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.957 HD13 ' NE2' ' A' ' 19' ' ' HIS . 18.4 mt -42.09 153.64 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -17.6 37.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.228 . . . . 0.0 112.312 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.957 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.8 p-80 -94.18 5.5 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -125.68 -12.35 6.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -45.38 -31.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -115.41 160.95 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.32 -179.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -96.05 -26.9 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 -70.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.55 -4.08 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 48.53 31.02 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.431 HE22 ' CA ' ' A' ' 30' ' ' GLY . 1.2 tm0? -71.62 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 29' ' ' ARG . 3.6 ptp85 -70.99 89.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' CA ' HE22 ' A' ' 28' ' ' GLN . . . 140.11 66.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 136.66 33.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.5 t -127.18 18.65 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.715 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.9 m-85 -149.97 161.14 42.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 m -142.14 131.12 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -84.4 118.63 24.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -74.05 -23.95 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -80.34 -61.31 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 t -74.7 -26.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.79 34.85 37.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 p -116.03 -179.35 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 4.6 m-85 -114.98 103.82 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -105.59 -175.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -116.38 179.87 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -60.78 -39.14 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.96 -59.04 5.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' SER . 79.6 m -62.32 -51.18 68.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.548 ' HA ' HG11 ' A' ' 59' ' ' VAL . 79.2 p -37.81 -45.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.56 -37.43 68.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 17.8 m -63.7 -56.34 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 42' ' ' VAL . 10.1 mt -40.39 -48.26 2.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 9.0 mtp-105 -50.72 -45.19 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.13 -33.24 22.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.846 HD22 ' OE1' ' A' ' 116' ' ' GLU . 42.7 mt -61.17 172.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.441 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.9 t30 -141.53 122.13 8.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.9 Cg_endo -69.71 153.83 92.95 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.309 -0.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.26 4.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -60.15 -177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -120.51 115.66 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.7 m -122.27 146.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -145.11 127.86 16.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -52.42 158.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 32' ' ' THR . 60.2 mt -90.64 -38.8 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.2 p -103.89 -30.98 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 4.6 tmm? -78.36 -20.61 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -132.19 153.16 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -99.07 176.95 5.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -149.7 161.52 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.88 168.14 9.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -52.05 -61.42 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 16.5 pt20 -41.52 -32.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 77.5 mt-10 -82.63 -54.58 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.0 mm -47.03 -58.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -52.15 -42.62 63.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -59.79 -41.35 90.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.79 -33.48 60.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 48.7 mt-30 -70.03 -42.08 73.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -69.13 -15.17 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.6 m80 -106.16 -75.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.58 162.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -66.58 -17.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.47 -67.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 83' ' ' CYS . 33.1 m -86.81 -45.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 82' ' ' VAL . 8.4 m -38.32 -67.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -43.01 -64.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.94 -45.35 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.74 -29.73 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.88 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.6 m95 -91.99 -14.89 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.88 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.63 24.36 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.64 -51.99 21.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.514 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.67 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.772 0.238 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.18 158.52 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -112.24 43.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -127.66 -37.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.55 135.0 19.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.59 9.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.4 -41.26 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -51.43 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 67.0 t -62.93 -32.13 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -71.77 -59.6 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.78 -33.64 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.4 t80 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.544 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.1 mt -52.15 -35.25 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 116' ' ' GLU . 98.1 mt-30 -62.55 -52.03 65.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 9.1 mt-10 -57.31 -12.67 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 6.4 tttp -96.46 -32.0 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.544 ' HE2' HD22 ' A' ' 111' ' ' LEU . 10.5 m-85 -116.46 -56.06 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.846 ' OE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.18 -41.75 79.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 19.0 mmtp -103.79 -27.58 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 35.9 mttp 54.64 50.07 16.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -61.69 -67.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.5 m-90 -84.9 40.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 10.3 t80 -89.03 104.73 17.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.7 t -133.67 98.71 14.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 156.08 64.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -38.73 7.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -39.88 -38.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.1 mp -60.67 -46.01 91.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.99 -34.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtp -69.26 -39.31 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -51.21 -51.33 54.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.49 -47.35 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.56 -34.69 73.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 mtm -68.49 -52.97 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 11' ' ' LEU . 68.2 p -55.95 -26.66 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -34.52 63.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.444 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' NE2' ' A' ' 19' ' ' HIS . 76.9 mt -46.86 151.28 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.01 19.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.685 ' NE2' HD13 ' A' ' 17' ' ' LEU . 29.3 p-80 -84.2 4.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -131.1 29.95 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -90.45 -32.91 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -121.27 179.26 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.37 174.57 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 24.7 t80 -104.83 -14.66 15.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.586 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -111.33 -68.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.4 p -84.91 4.79 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.51 29.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 29' ' ' ARG . 59.3 tt0 -62.88 159.33 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.1 tmt_? -96.41 110.34 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.15 68.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 125.04 11.64 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -119.13 19.71 12.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 14.8 m-85 -146.3 158.13 43.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 m -142.69 138.89 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.569 ' ND2' HD13 ' A' ' 50' ' ' LEU . 10.0 t-20 -88.94 112.05 22.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mmt -68.57 -30.04 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -72.72 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -74.0 -31.28 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.75 31.51 26.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 p -115.96 -179.18 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -110.61 119.69 39.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 33' ' ' TYR . 17.1 m -121.13 -179.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.8 p -109.89 176.06 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 4.9 m -61.86 -47.12 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -54.13 -37.35 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -78.57 -41.63 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.0 p -42.7 -29.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.44 -41.54 7.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -65.06 -51.07 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' ND2' ' A' ' 35' ' ' ASN . 20.0 mt -44.5 -47.44 10.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 10.9 mtm105 -55.07 -46.35 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.02 -30.89 5.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 64.5 mt -61.1 167.37 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.954 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -137.88 120.19 10.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.79 158.42 91.12 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.352 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 120.02 6.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -61.27 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -126.03 122.11 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.42 152.8 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -150.42 119.1 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.4 m -44.71 151.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.44 -38.77 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -101.27 -49.75 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -59.16 -34.07 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.6 m -116.32 142.11 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -88.31 170.42 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.91 170.73 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 71' ' ' GLU . 3.5 t -125.04 158.22 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -44.39 -43.8 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -57.27 -63.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' H ' HG23 ' A' ' 68' ' ' THR . 43.6 mt-10 -50.29 -50.44 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mm -48.97 -59.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.17 -59.39 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -41.45 -56.48 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.5 mt -53.66 -56.23 19.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -49.81 -45.61 50.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -52.37 -30.87 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' VAL . 76.5 m80 -109.35 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 57.28 159.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -55.37 -20.82 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 59.9 tt0 -47.57 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.5 m -92.48 -36.74 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.82 -68.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 17.5 ttpt -41.67 -65.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.12 -49.17 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.8 mt -54.81 -28.57 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -94.63 -13.34 25.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -111.1 17.14 20.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.91 -54.23 3.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' PHE . 13.8 mt -83.89 -42.29 16.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 4.5 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.785 0.244 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.69 156.38 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.86 47.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -133.7 -43.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -100.1 125.46 39.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -30.04 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -57.62 -41.39 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -74.23 -62.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -44.75 -41.9 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -58.46 -50.82 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.03 -61.07 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.2 t80 -48.77 -47.42 41.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.3 mt -53.46 -42.16 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.9 mt-30 -61.58 -37.0 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.39 -17.5 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.22 -23.81 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.672 ' HE2' HD22 ' A' ' 111' ' ' LEU . 26.6 m-85 -104.81 -54.82 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.7 mm-40 -72.36 -58.85 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.1 -25.07 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 44.8 mttt 53.41 25.86 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 14.4 ttt180 -35.7 -68.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -90.44 51.38 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 16.8 t80 -95.33 96.77 9.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 123' ' ' PRO . 55.8 t -120.99 98.83 47.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.747 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 122' ' ' VAL . 53.1 Cg_endo -69.86 152.15 68.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -30.7 22.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -45.04 -30.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.3 -37.29 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -57.72 -36.46 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mmm -78.5 -41.06 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 62' ' ' ILE . 15.3 tp -45.73 -59.02 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -45.05 -51.61 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.49 -45.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.401 ' CE ' HG23 ' A' ' 72' ' ' ILE . 13.1 mtm -58.61 -55.94 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.8 p -55.53 -28.49 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -34.69 67.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' NE2' ' A' ' 19' ' ' HIS . 95.0 mt -45.33 153.68 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -43.43 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.705 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.1 p-80 -70.6 -12.0 61.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -116.84 37.43 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -92.39 -33.53 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -126.77 174.78 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.99 172.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.447 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 79.8 t80 -97.35 -4.15 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -132.37 -64.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 14.5 p -77.03 2.13 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.6 t70 34.95 51.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -104.86 103.17 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.66 145.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 91.08 47.98 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 54.5 Cg_endo -69.74 114.57 3.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 62' ' ' ILE . 48.6 p -111.2 28.56 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' THR . 13.5 m-85 -150.72 151.79 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 41' ' ' PHE . 19.3 m -139.76 129.17 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' GLY . 50.4 t-20 -81.25 114.9 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.6 mmm -73.03 -32.31 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -65.91 -55.4 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -85.44 -30.72 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 85.33 35.83 11.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -116.51 178.19 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 34' ' ' VAL . 18.6 m-85 -110.85 114.23 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' ' 33' ' ' TYR . 27.1 m -120.09 -176.23 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -69.05 -27.13 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 t -68.83 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' SER . 56.4 m -56.97 -44.33 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.66 ' HA ' HG11 ' A' ' 59' ' ' VAL . 64.7 p -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.4 -31.95 60.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.7 m -70.34 -48.84 54.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 10.4 mt -45.12 -46.97 12.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -49.27 -41.07 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.75 -38.02 28.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.05 171.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.6 t30 -139.72 121.01 9.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.2 Cg_endo -69.82 155.81 93.24 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 -1.819 . . . . 0.0 112.315 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.33 9.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 25.0 m170 -62.16 -178.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -122.76 122.92 39.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.1 m -124.64 153.96 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -152.68 125.64 8.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 64.6 m -53.55 147.9 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 32' ' ' THR . 86.5 mt -84.68 -43.15 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -91.32 -54.14 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.466 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.3 tpt -55.74 -38.8 70.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -116.11 141.75 47.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.06 177.83 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.6 t -129.59 152.67 48.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 31.4 tp60 -36.28 -46.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -51.34 -61.52 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.44 -51.9 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.401 HG23 ' CE ' ' A' ' 14' ' ' MET . 24.1 mm -41.82 -61.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' GLN . 12.5 mm-40 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -39.76 -40.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.9 -34.01 64.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' GLU . 32.9 mt-30 -70.28 -41.68 73.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -62.78 -13.84 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.8 m80 -117.09 -75.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.61 159.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.9 -14.14 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -52.98 -64.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.3 m -89.21 -37.0 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -45.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 36.3 tttt -42.75 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.2 -48.02 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 122' ' ' VAL . 64.4 mt -56.15 -30.08 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.913 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -10.37 36.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -116.17 20.98 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.76 -51.63 12.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.4 mt -85.99 -39.91 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.798 0.249 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -85.83 163.57 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.67 38.08 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -127.12 -28.6 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.65 125.77 30.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 105' ' ' GLN . 53.7 Cg_endo -69.82 -27.01 26.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 104' ' ' PRO . 26.2 mp0 -61.77 -48.15 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -67.99 -59.12 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG12 HD12 ' A' ' 111' ' ' LEU . 92.2 t -46.45 -42.69 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -57.86 -61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.39 -60.52 2.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 1.4 t80 -51.65 -47.92 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 107' ' ' VAL . 13.0 mt -55.83 -50.17 71.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 28.9 mt-30 -56.84 -49.67 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.21 -13.14 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -113.3 -14.86 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -117.95 -54.51 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 18.4 mt-10 -71.91 -59.01 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -74.62 -26.45 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 121' ' ' TYR . 26.2 mtpt 57.65 40.72 26.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.9 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -85.14 51.58 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.42 ' CG ' ' HE2' ' A' ' 118' ' ' LYS . 24.9 t80 -97.34 127.92 43.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 86' ' ' ILE . 76.5 t -151.73 105.2 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.69 65.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -35.93 11.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.74 -35.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.51 -49.59 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -46.19 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 49.6 mmm -60.5 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -40.51 -61.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -42.75 -49.31 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.85 -42.81 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.41 ' CE ' HG23 ' A' ' 72' ' ' ILE . 19.3 mtm -59.78 -49.54 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 11' ' ' LEU . 65.0 p -62.12 -14.06 33.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.43 -23.9 49.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.766 HD13 ' NE2' ' A' ' 19' ' ' HIS . 55.7 mt -47.62 151.93 1.37 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.6 Cg_endo -69.83 -17.59 37.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.766 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.5 p-80 -98.08 2.14 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -128.29 12.31 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 10.0 mmt85 -66.47 -28.16 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.75 169.31 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -56.67 173.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 9.1 t80 -96.72 -22.14 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -68.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.79 -8.55 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.1 40.71 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -90.62 135.51 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.52 146.51 51.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 56.2 3.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 119.59 6.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 71.4 p -111.6 27.89 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -150.64 156.36 41.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.14 134.92 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -84.79 115.33 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmt -73.35 -29.07 62.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -75.42 -57.68 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -77.49 -30.17 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 34.62 23.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 p -118.55 179.17 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -108.52 118.26 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.3 m -121.69 -176.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.63 179.86 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.95 -35.65 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -62.83 -67.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.6 m -56.82 -54.32 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.675 ' HA ' HG11 ' A' ' 59' ' ' VAL . 90.0 p -37.75 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -78.38 -38.8 24.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' CYS . 5.3 t -70.71 -48.59 53.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.919 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD22 ' ND1' ' A' ' 57' ' ' HIS . 13.2 mt -40.15 -38.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 -61.82 -48.98 78.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.07 -31.03 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 15.4 mt -62.9 174.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 17.2 t30 -143.9 121.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.74 156.98 92.47 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.472 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.0 m170 -61.69 -175.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -125.98 113.9 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -119.29 139.12 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -138.71 121.03 15.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 12.0 m -48.64 154.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 11' ' ' LEU . 74.5 mt -90.11 -32.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -100.98 -51.53 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.432 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 19.6 mtm -59.06 -38.04 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 m -110.74 144.15 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -88.92 -177.4 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -147.62 -176.42 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 71' ' ' GLU . 6.3 t -140.34 162.25 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -48.83 -46.09 41.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -55.52 -62.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 68' ' ' THR . 69.7 mm-40 -49.22 -53.15 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' CE ' ' A' ' 14' ' ' MET . 43.7 mm -49.23 -42.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.97 -51.91 65.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 3.4 t80 -53.75 -48.75 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.2 -47.54 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.35 -47.7 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -52.48 -32.16 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -99.99 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.82 162.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -63.87 -12.91 40.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.09 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.4 m -92.98 -36.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -45.45 -67.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 tttt -41.52 -65.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLY . 30.1 mt-30 -44.9 -52.12 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -52.46 -27.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.883 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -95.85 -14.07 23.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -112.27 3.13 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -37.73 -32.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 90' ' ' LEU . 10.3 mt -111.87 -12.67 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.497 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 33.2 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.804 0.252 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.68 167.85 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -119.92 -37.37 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -49.57 -30.77 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -110.32 119.08 47.84 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.574 0.702 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -36.11 11.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -52.19 -48.33 65.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.8 -60.75 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -45.06 -43.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -48.45 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -43.82 -45.63 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.99 -39.89 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 116' ' ' GLU . 81.4 mt-30 -59.4 -52.14 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -54.48 -14.39 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 115' ' ' TYR . 13.7 ttmt -100.87 -33.85 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 17.7 m-85 -112.47 -55.94 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.5 tm-20 -55.48 -56.22 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -26.58 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 121' ' ' TYR . 3.5 mtmp? 56.57 54.13 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -64.48 -67.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.497 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.9 m-90 -86.83 49.75 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 118' ' ' LYS . 12.2 t80 -94.36 92.78 7.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.6 t -117.87 101.15 52.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.83 51.94 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.94 -26.36 62.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.93 -51.37 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.59 -44.79 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 mmm -68.29 -38.95 82.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 62' ' ' ILE . 7.0 tt -45.57 -42.96 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -61.76 -48.65 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -42.38 -39.9 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 39.1 mtm -65.83 -59.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -47.22 -40.22 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.15 -32.35 56.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.537 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.789 HD13 ' NE2' ' A' ' 19' ' ' HIS . 89.8 mt -50.07 153.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.74 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.789 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.8 p-80 -67.74 -3.62 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.537 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 15.5 m-80 -108.67 -28.14 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 26.7 mmm180 -36.3 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASN . 12.5 pttp -132.27 168.58 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.86 -179.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 2.3 t80 -100.23 -23.23 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.648 ' CG ' HD21 ' A' ' 111' ' ' LEU . 47.0 m-20 -113.3 -69.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 16.3 p -71.69 -1.32 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 44.52 34.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.66 100.84 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.9 mtt-85 -45.92 105.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.89 68.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.4 50.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.284 . . . . 0.0 112.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -128.76 12.92 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -147.42 167.93 23.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 41' ' ' PHE . 18.4 m -149.78 125.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -78.02 123.0 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' CE2' ' A' ' 74' ' ' PHE . 9.1 mmt -80.59 -29.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -72.3 -46.01 57.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.99 -23.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 30.85 56.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 p -114.93 178.48 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 10.5 m-85 -109.61 113.66 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 50' ' ' LEU . 24.0 m -117.1 -176.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -116.68 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 t -54.94 -37.76 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 t -66.41 -67.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.6 m -54.96 -23.67 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.467 ' HA ' HG11 ' A' ' 59' ' ' VAL . 1.3 t -69.85 -53.9 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.5 64.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.3 t -83.11 -42.6 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 42' ' ' VAL . 12.6 mt -51.92 -37.99 54.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -67.5 -43.08 81.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.84 -35.61 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 ' HG3' ' A' ' 116' ' ' GLU . 49.6 mt -52.86 166.15 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -132.14 119.17 16.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.9 91.5 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.376 -0.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 118.82 5.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.72 163.93 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.67 141.97 27.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -150.05 125.04 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE2' HG21 ' A' ' 65' ' ' THR . 42.6 mtpt -132.54 140.38 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 45.9 m -53.09 168.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.636 HG23 HD21 ' A' ' 11' ' ' LEU . 69.1 mt -88.82 -53.91 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -102.97 -37.15 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.468 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -61.42 -15.96 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 60' ' ' LYS . 94.9 m -118.54 153.12 34.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 65' ' ' THR . 1.1 m -105.14 120.1 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.55 -179.47 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.7 t -139.58 151.43 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' THR . 15.4 tm0? -34.22 -39.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -54.61 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 52.4 mm-40 -55.76 -55.6 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 76' ' ' GLN . 33.2 mm -38.56 -46.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.33 -46.31 77.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 36' ' ' MET . 39.1 t80 -56.73 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.1 mt -57.1 -59.42 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 72' ' ' ILE . 72.1 mt-30 -52.07 -53.09 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -44.6 -22.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.0 -75.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 56.09 161.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -55.46 -17.28 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 23.8 tt0 -48.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.98 -32.93 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.94 -68.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 18.9 ttpt -41.37 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -44.45 -50.0 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -52.83 -29.78 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.434 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.5 m95 -92.65 -19.62 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 88' ' ' LEU . 5.5 mt -101.88 20.93 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.67 -47.93 17.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.34 -25.65 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.808 0.253 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.96 158.57 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 8.0 m-85 -113.91 40.13 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -125.73 -38.1 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.26 127.86 40.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.41 25.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.14 -52.17 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.03 -54.63 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.22 -36.96 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.6 -53.16 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -59.95 -47.32 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.7 t80 -61.6 -44.91 96.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.648 HD21 ' CG ' ' A' ' 25' ' ' ASP . 12.6 mt -58.8 -45.16 90.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 116' ' ' GLU . 59.6 mt-30 -59.73 -52.6 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 78.9 mm-40 -57.64 -13.0 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 62.6 tttt -92.69 -36.71 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.36 -55.08 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.839 ' HG3' HD22 ' A' ' 53' ' ' LEU . 6.3 mt-10 -52.66 -37.19 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 27.2 mmtp -111.1 -23.49 10.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.8 mttm 54.83 51.71 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -58.46 -70.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.3 m-90 -85.58 38.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.76 110.32 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.27 105.0 9.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.68 0.752 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 151.06 69.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 124' ' ' PRO . 78.0 mm-40 -34.63 -32.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 124' ' ' PRO . 21.0 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.26 -52.73 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -43.21 -49.03 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.528 ' HB2' HG21 ' A' ' 72' ' ' ILE . 8.9 mtt -71.94 -45.93 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -35.16 -47.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' ASP . 19.5 ttp180 -61.07 -48.8 80.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' MET . 22.2 t70 -36.63 -41.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.838 ' HE1' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -66.73 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -47.06 -40.93 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.68 -38.69 53.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.982 HD13 ' NE2' ' A' ' 19' ' ' HIS . 88.9 mt -48.93 151.46 2.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.44 9.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.982 ' NE2' HD13 ' A' ' 17' ' ' LEU . 3.0 p-80 -69.91 -14.09 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 8.1 m-80 -93.28 -37.68 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASN . 30.4 mmm180 -37.86 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ASN . 22.4 mmtm -117.61 156.85 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 -179.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -99.17 -39.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.64 -70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 14.3 p -72.51 -3.02 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 45.64 36.55 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 tp-100 -80.04 130.94 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -69.86 111.71 5.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.94 65.78 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.98 31.71 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 9.8 p -122.98 20.38 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 15.8 m-85 -150.64 164.94 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.0 133.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -82.25 113.82 20.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.8 m -81.62 -51.43 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.7 t -87.04 -30.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.3 28.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -107.87 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 13.0 m-85 -109.45 103.45 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.0 m -106.94 176.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.75 175.73 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 14.1 t -55.41 -39.79 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 44' ' ' THR . 73.8 m -63.03 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 72.6 m -51.01 -52.83 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' HG11 ' A' ' 59' ' ' VAL . 99.0 p -40.75 -31.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.4 -37.58 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.7 t -68.63 -49.78 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -44.57 -46.52 10.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -52.7 -43.09 65.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.83 -34.42 29.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 32.9 mt -55.07 171.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.353 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 5.6 t30 -144.62 119.14 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.76 154.95 93.45 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.14 14.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -68.25 -179.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 113.98 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.9 OUTLIER -115.69 143.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.45 126.12 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.477 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 58.5 m -51.06 154.08 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 11' ' ' LEU . 87.2 mt -86.45 -39.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -97.79 -49.13 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 21.1 ttp -61.8 -40.47 95.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -111.5 143.25 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.5 p -98.3 -176.39 3.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -148.55 172.5 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -118.9 162.35 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -46.32 -59.72 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.7 pt20 -45.44 -32.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 71.8 mt-10 -81.1 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.838 HG23 ' HE1' ' A' ' 14' ' ' MET . 25.2 mm -36.37 -66.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -44.3 -59.21 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t80 -42.4 -48.4 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.68 -34.53 77.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.39 -52.6 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -56.48 -13.03 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.591 ' CE1' ' HE3' ' A' ' 77' ' ' LYS . 26.2 m80 -102.78 -75.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.86 161.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -70.6 -6.95 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -58.7 -61.1 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 78' ' ' HIS . 27.8 m -92.52 -35.93 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.0 m -46.85 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.4 ttpp -42.18 -65.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.07 -48.98 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mt -54.01 -32.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 97.7 m95 -90.39 -14.97 31.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -110.12 20.25 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.75 17.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.86 -35.39 12.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.5 t80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.843 0.268 . . . . 0.0 112.296 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.55 149.92 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.5 40.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -124.64 -13.45 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.98 126.5 23.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.66 31.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -68.82 -44.27 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -72.2 -53.73 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 64.2 t -51.56 -43.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -55.36 -52.32 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.28 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.9 t80 -46.69 -45.35 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 111' ' ' LEU . 12.3 mt -59.62 -40.6 88.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 48.1 mt-30 -58.74 -37.25 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.77 -16.8 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -104.9 -22.75 13.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -106.85 -54.84 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.5 mt-10 -71.88 -55.5 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -81.79 -27.8 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 65.9 mttt 49.57 38.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.8 ptm180 -55.75 -49.82 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 3.2 m-90 -91.16 26.78 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.412 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 24.7 t80 -80.52 123.02 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.23 105.01 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 148.63 65.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.5 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.96 -26.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 124' ' ' PRO . 2.1 tp-100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD11 ' OG1' ' A' ' 66' ' ' THR . 4.8 mp -43.27 -46.5 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' LEU . 19.3 tttp -36.21 -39.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' LEU . 10.1 mtp -77.93 -41.44 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -37.7 -46.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -60.77 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -40.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.544 ' CE ' HG23 ' A' ' 72' ' ' ILE . 1.9 mpp? -72.01 -50.73 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.7 p -54.68 -16.09 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.56 8.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.832 HD13 ' NE2' ' A' ' 19' ' ' HIS . 84.7 mt -41.3 154.04 0.24 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.66 6.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.832 ' NE2' HD13 ' A' ' 17' ' ' LEU . 10.0 p-80 -72.87 -3.92 28.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -124.6 36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -93.6 -33.32 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -124.95 172.39 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.7 t -59.33 172.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -98.59 -22.52 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.15 -61.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.67 5.82 41.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 28.2 m-20 40.16 38.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.73 124.36 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -62.92 131.37 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 58.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.97 16.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 62.0 p -118.08 26.22 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.682 ' CE1' HG23 ' A' ' 44' ' ' THR . 16.9 m-85 -150.37 164.05 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -150.26 123.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.32 113.1 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mmt -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 m -73.57 -57.2 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -81.53 -28.54 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.65 31.55 29.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 p -111.83 -179.33 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.26 113.85 26.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 50' ' ' LEU . 28.5 m -121.18 -179.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -113.58 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.682 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.25 -53.56 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -55.46 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.9 m -68.92 -27.02 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -34.72 17.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 51' ' ' ARG . . . -83.32 -30.21 31.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -69.84 -41.34 75.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD11 HG11 ' A' ' 42' ' ' VAL . 21.1 mt -65.73 -46.24 79.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' CD ' ' HA2' ' A' ' 48' ' ' GLY . 22.9 ptt180 -68.9 -14.75 63.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.47 -28.21 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.54 -176.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.9 t30 -144.46 119.92 6.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.5 Cg_endo -69.73 156.76 92.56 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.387 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.24 18.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -71.13 -176.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -122.21 112.39 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.51 136.32 52.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -135.82 125.11 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 70.8 m -49.21 154.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.43 -32.75 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 t -102.81 -50.59 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.41 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 33.2 mtt -60.99 -42.42 98.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -108.08 137.06 46.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.58 ' OG1' HD11 ' A' ' 8' ' ' LEU . 7.5 t -91.53 174.57 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -138.14 -175.8 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLN . 3.6 t -133.04 156.8 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' THR . 29.3 tp60 -35.83 -58.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -43.69 -67.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -46.74 -53.31 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.544 HG23 ' CE ' ' A' ' 14' ' ' MET . 45.9 mm -42.98 -56.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.79 -47.2 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 5.2 t80 -51.35 -37.61 48.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.25 -63.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 36.5 mt-30 -48.03 -46.72 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -47.76 -33.97 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 82' ' ' VAL . 48.0 m80 -104.93 -74.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 162.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -59.26 -14.62 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -50.96 -63.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.8 m -93.32 -39.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' N ' HG23 ' A' ' 82' ' ' VAL . 3.5 m -41.51 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.3 tttm -39.78 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -44.45 -50.78 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -52.04 -29.14 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.888 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.58 -14.0 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.888 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -114.03 18.41 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.96 -50.82 7.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.6 mt -84.52 -43.55 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.6 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.769 0.237 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.06 158.79 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.7 m-85 -111.31 -26.38 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.4 -25.25 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.22 115.14 40.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.3 11.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -88.05 -41.73 12.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -72.84 -30.19 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.0 -43.01 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.35 -57.24 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.7 pt-20 -49.66 -38.23 31.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -71.87 -45.72 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.15 -32.95 50.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.5 mt-30 -65.58 -41.43 92.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.16 -14.66 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 88' ' ' LEU . 23.8 ttmt -106.72 -26.09 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.7 -53.39 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -71.18 -59.09 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -78.47 -22.66 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 61.2 mttt 52.07 28.15 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' LYS . 7.5 ttt85 -35.42 -66.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -95.8 56.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.545 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 11.8 t80 -97.76 99.31 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.32 99.91 36.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 157.82 59.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.733 2.288 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.79 -40.95 4.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.5 pt-20 -37.3 -32.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 124' ' ' PRO . 71.1 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 8' ' ' LEU . 1.6 mm? -72.81 -33.62 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -40.94 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 72' ' ' ILE . 3.5 mmt -74.74 -27.16 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.57 -40.1 96.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -63.85 -43.1 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.29 -37.53 16.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.7 mtm -71.83 -55.62 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.6 p -45.7 -29.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -67.03 -44.94 87.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 ' NE2' ' A' ' 19' ' ' HIS . 67.8 mt -37.54 144.06 0.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -30.04 23.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.91 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.4 p-80 -78.37 4.58 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' LYS . 37.4 m-20 -125.87 -24.28 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 5.2 mmm180 -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -122.12 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.25 177.27 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 22.4 t80 -106.83 -17.23 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -58.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 24.5 p -94.42 12.46 27.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 t70 40.16 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tp-100 -67.55 130.07 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 120.02 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.24 63.91 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.77 52.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -133.23 20.75 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.717 ' HB3' HG23 ' A' ' 42' ' ' VAL . 21.9 m-85 -150.82 163.92 37.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.66 126.24 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -76.46 109.64 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -68.46 -27.45 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -75.44 -61.03 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.436 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 17.0 t -75.52 -27.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 32.13 36.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 171.54 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -98.82 117.95 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.717 HG23 ' HB3' ' A' ' 33' ' ' TYR . 15.3 m -119.29 -176.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 p -119.87 179.61 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.496 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 11.2 t -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 t -71.55 -36.51 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.3 m -84.34 -34.1 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.603 ' HA ' HG11 ' A' ' 59' ' ' VAL . 71.0 p -50.45 -39.42 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 -35.08 37.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -66.95 -54.71 19.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 42' ' ' VAL . 32.6 mt -41.97 -48.79 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -54.06 -37.67 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.76 35.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.63 178.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 39.2 t30 -148.47 121.45 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.75 154.13 93.15 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.34 -0.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.66 9.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -67.48 167.34 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -101.11 114.85 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.603 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -115.17 148.09 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -150.62 146.79 26.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 65' ' ' THR . 9.7 p -64.48 170.47 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.5 mt -92.65 -51.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.9 m -100.54 -43.56 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.502 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -54.67 -14.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 61' ' ' SER . 1.3 t -133.02 142.18 48.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -99.52 130.99 45.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 65' ' ' THR . 81.6 m-85 -105.56 148.49 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -92.73 166.07 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -39.79 -67.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -44.44 -52.9 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -52.72 -45.23 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 10' ' ' MET . 30.0 mm -63.68 -60.59 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.28 -54.63 10.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -44.85 -50.06 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.3 -62.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -47.14 -54.0 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -45.91 -28.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.466 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.1 m80 -106.29 -75.22 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.81 163.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.34 -18.57 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.63 -64.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.8 m -92.6 -39.64 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.3 m -41.79 -66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 10.9 ttmm -42.6 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -44.79 -45.75 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' VAL . 82.7 mt -57.46 -30.62 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.808 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -93.24 -8.77 41.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.808 HD23 ' C ' ' A' ' 87' ' ' TRP . 2.3 mt -113.36 11.51 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -34.38 -56.23 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.3 -46.61 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.816 0.257 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.09 148.41 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 3.5 m-85 -98.8 -42.12 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -38.99 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' PHE . 45.2 m-20 -121.87 137.94 27.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -43.77 -49.65 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -56.37 -50.96 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.87 -33.11 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -69.97 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -40.98 -34.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.9 t80 -84.94 -46.04 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 115' ' ' TYR . 13.4 mt -55.37 -26.71 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.3 mt-30 -72.05 -46.39 57.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -66.98 -11.95 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -106.5 -19.0 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.732 ' CE2' HD22 ' A' ' 111' ' ' LEU . 15.5 m-85 -117.44 -51.1 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.4 mm-40 -72.92 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.19 -28.35 42.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt 55.9 38.56 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -47.61 -66.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.62 57.02 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -103.57 122.83 45.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' ILE . 47.3 t -148.69 105.12 3.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 147.97 63.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -31.52 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 124' ' ' PRO . 54.5 mm-40 -37.44 -28.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.495 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.867 HD21 HG23 ' A' ' 66' ' ' THR . 3.6 mm? -43.3 -45.93 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' MET . 25.5 tptt -72.68 -47.97 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.66 ' SD ' HG21 ' A' ' 72' ' ' ILE . 21.9 mtp -35.94 -53.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 62' ' ' ILE . 12.7 mt -36.39 -49.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -47.92 -44.43 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' MET . 8.8 t70 -56.72 -45.15 82.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.2 mtm -59.89 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -44.96 -38.17 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -55.66 -45.33 85.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.887 HD13 ' NE2' ' A' ' 19' ' ' HIS . 82.3 mt -37.91 150.1 0.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.39 4.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.887 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.3 p-80 -67.43 -4.31 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' LYS . 25.3 m-20 -114.08 -20.18 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -43.32 -23.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -138.16 154.86 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.57 179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 13.8 t80 -96.75 -36.68 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.89 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -98.02 -70.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.87 -0.79 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 46.11 29.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -64.75 119.68 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.55 87.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.37 71.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.88 48.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.686 HG23 ' HD1' ' A' ' 33' ' ' TYR . 2.8 t -133.47 17.41 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.686 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.3 m-85 -151.04 170.92 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 60' ' ' LYS . 14.6 m -140.76 135.56 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 50' ' ' LEU . 18.9 t-20 -92.35 63.19 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 3.5 mmt -34.23 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ASN . 23.9 m -56.6 -51.79 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG1' ' HE1' ' A' ' 87' ' ' TRP . 45.5 t -93.21 -40.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.96 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -113.3 -178.95 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.26 119.3 39.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.1 m -118.35 175.76 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 p -112.62 -179.19 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -60.51 -43.4 97.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -57.84 -67.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 49' ' ' SER . 78.0 m -49.79 -54.12 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.6 ' HA ' HG11 ' A' ' 59' ' ' VAL . 24.6 p -34.78 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -76.78 -43.57 17.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' CYS . 11.9 t -59.66 -59.01 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' ND2' ' A' ' 35' ' ' ASN . 31.1 mt -46.9 -45.72 20.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -55.71 -31.18 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.9 -28.33 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 45.1 mt -60.62 168.89 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 32.5 t30 -137.46 121.21 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.74 154.22 93.16 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.318 -0.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.12 15.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.8 -176.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -122.97 114.73 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.0 m -118.16 152.66 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' ' CE2' ' A' ' 67' ' ' PHE . 1.1 ptpp? -156.64 145.96 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 68.3 m -62.02 160.72 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 11' ' ' LEU . 36.3 mt -91.57 -40.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -104.04 -32.09 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 26.2 mtp -81.69 15.56 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.4 m -154.2 133.73 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.867 HG23 HD21 ' A' ' 8' ' ' LEU . 36.0 m -83.45 145.33 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 11' ' ' LEU . 33.1 m-85 -123.68 163.93 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 168.7 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.69 -54.69 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -52.61 -38.43 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.85 -58.07 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.66 HG21 ' SD ' ' A' ' 10' ' ' MET . 24.7 mm -42.43 -49.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -57.93 -55.24 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 t80 -44.72 -36.69 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.7 -63.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -47.27 -53.59 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -41.97 -36.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 82' ' ' VAL . 56.9 m80 -104.02 -75.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.58 161.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.94 -16.99 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.325 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.02 -65.92 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 78' ' ' HIS . 23.2 m -89.33 -35.73 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.84 -68.12 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' NZ ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -43.46 -65.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -44.95 -44.86 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.86 -29.74 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.7 m95 -92.64 -11.81 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.85 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -111.54 20.61 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.63 28.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.16 16.77 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 13.7 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.536 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 166.31 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.14 -36.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -51.48 -34.03 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -105.67 125.82 32.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -42.9 3.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -47.1 -55.0 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -53.34 -56.63 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.441 HG12 HD12 ' A' ' 111' ' ' LEU . 97.7 t -50.41 -55.66 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -38.45 -51.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.55 -65.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.9 t80 -45.3 -41.01 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.89 HD21 ' OD1' ' A' ' 25' ' ' ASP . 16.7 mt -61.77 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 44.2 mt-30 -58.14 -58.15 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -56.54 -13.17 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -95.51 -34.18 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -118.01 -55.94 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -53.68 -39.93 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -106.55 -28.05 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp 59.57 48.12 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -56.07 -72.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.5 m-90 -84.54 48.23 1.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -93.55 124.48 37.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.36 105.01 2.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.734 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.67 68.6 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.4 Cg_endo -69.73 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.4 pt-20 -35.1 -36.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 -52.39 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -41.95 -57.15 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ASP . 14.8 mtt -65.03 -39.24 93.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.859 HD11 HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -36.1 -57.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -61.65 -39.08 90.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' MET . 4.4 t70 -45.52 -50.41 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.465 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 3.0 mpp? -58.48 -59.77 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.8 p -48.02 -38.0 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.83 64.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.987 HD13 ' NE2' ' A' ' 19' ' ' HIS . 77.6 mt -48.3 150.83 2.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.78 -36.19 11.19 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.987 ' NE2' HD13 ' A' ' 17' ' ' LEU . 6.5 p-80 -75.34 -10.88 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 11.4 m-80 -97.93 -29.94 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 55.8 mmm-85 -36.98 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -130.4 161.79 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.57 179.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -98.48 -31.39 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' GLN . 27.9 p -84.09 7.08 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER 40.52 25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.1 tp-100 -59.6 119.05 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.46 78.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.38 70.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.98 52.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 p -133.85 15.17 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' HB3' HG23 ' A' ' 42' ' ' VAL . 12.0 m-85 -151.11 167.6 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 60' ' ' LYS . 13.4 m -137.56 143.87 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 38' ' ' VAL . 48.6 t30 -103.53 90.23 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.17 -46.32 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -49.62 -37.97 30.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 35' ' ' ASN . 5.0 t -118.85 19.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.4 34.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -105.67 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 21.6 m-85 -116.95 110.22 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 50' ' ' LEU . 27.0 m -111.91 -175.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.11 178.92 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -53.89 -48.94 69.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.7 t -59.18 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' SER . 85.1 m -52.42 -59.06 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.6 p -34.91 -47.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 -35.76 58.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' CYS . 64.0 m -61.45 -46.15 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD11 HG11 ' A' ' 42' ' ' VAL . 17.0 mt -53.75 -31.62 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -57.53 -49.57 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.53 -33.68 12.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 75.7 mt -55.55 166.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 63.1 t-20 -137.94 119.99 10.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.66 0.743 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.72 156.52 92.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.345 -0.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 116.55 4.62 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.23 -178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -122.0 130.41 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.3 OUTLIER -132.58 150.09 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.701 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.4 ptmt -148.75 122.44 9.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 1.6 t -43.63 158.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.859 HG23 HD11 ' A' ' 11' ' ' LEU . 77.3 mt -90.95 -34.49 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -103.69 -49.13 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 3.0 mtt -57.17 -35.85 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.514 HG21 ' HE3' ' A' ' 60' ' ' LYS . 8.1 m -108.04 136.75 47.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -84.57 151.09 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 4.5 m-85 -122.91 162.45 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -123.85 156.33 36.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' THR . 55.9 tp60 -36.42 -61.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -38.82 -61.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.65 -49.4 65.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.7 mm -44.96 -53.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.22 -38.28 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.29 -45.88 91.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.84 -57.49 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 21.2 mt-30 -54.63 -44.19 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.16 -34.45 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 82' ' ' VAL . 33.1 m80 -98.86 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.66 159.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -66.42 -8.22 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -62.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' HIS . 22.4 m -89.71 -37.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.4 m -46.47 -68.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 ttpt -43.55 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -45.08 -46.56 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.42 -29.01 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.907 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.0 m95 -93.19 -12.68 29.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -112.94 18.82 17.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.69 -31.54 9.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 90' ' ' LEU . 12.7 mt -107.69 -34.09 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.758 0.232 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.73 124.61 47.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 1.4 m-85 -74.6 -0.79 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 1.8 mpt_? -95.76 21.85 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.4 129.12 3.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.31 31.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -76.95 -37.89 54.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -76.68 -38.73 53.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 101' ' ' PHE . 77.2 t -74.91 -46.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -64.51 -54.2 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -52.49 -38.96 60.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.519 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.8 t80 -74.69 -43.79 53.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.59 -34.52 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLU . 41.2 mt-30 -66.03 -40.88 91.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.73 -14.75 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -110.76 -23.38 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.26 -52.66 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' GLN . 12.2 mm-40 -76.4 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -21.04 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt 46.28 37.29 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -45.83 -69.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' TRP . 1.2 m-90 -88.02 58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.67 113.18 26.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.73 108.47 9.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.01 66.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -44.06 2.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -53.66 -16.13 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.413 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 66' ' ' THR . 3.7 mm? -53.56 -48.4 69.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -61.36 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASP . 63.6 mmm -59.74 -42.75 93.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -38.05 -47.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -58.61 -42.17 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' MET . 10.8 t70 -45.15 -52.42 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.582 ' HE1' HD12 ' A' ' 72' ' ' ILE . 2.1 mpp? -57.16 -65.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.6 p -44.99 -30.49 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.14 -49.76 75.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD13 ' NE2' ' A' ' 19' ' ' HIS . 15.2 mt -40.62 149.76 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.69 10.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.602 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -72.13 1.38 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . 42.2 m-20 -114.28 -33.61 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -37.24 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ASN . 79.0 mttt -122.01 178.68 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 1.8 t -71.49 174.92 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 3.9 t80 -105.05 -22.45 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.863 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -102.31 -62.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 p -93.66 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 38.4 m-20 49.31 26.08 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.34 148.75 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -90.38 98.62 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.37 68.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.96 36.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.7 p -130.4 19.06 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 13.5 m-85 -146.92 170.03 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.507 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 16.0 m -146.84 129.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.648 ' ND2' HG23 ' A' ' 38' ' ' VAL . 49.1 t30 -86.25 87.36 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.3 mmt -45.46 -48.13 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.0 m -50.32 -34.69 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG23 ' ND2' ' A' ' 35' ' ' ASN . 2.5 t -120.34 19.09 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 35.14 35.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 87.8 p -104.18 179.93 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 9.1 m-85 -117.6 108.53 15.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -112.64 -177.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 p -113.67 176.04 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.53 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 m -61.97 -31.7 72.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -68.44 -39.61 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -76.0 -36.23 59.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.6 p -44.29 -35.9 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.37 -34.98 30.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -69.0 -56.52 7.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 42' ' ' VAL . 26.1 mt -47.74 -49.34 28.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -58.63 -36.59 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.43 -28.17 59.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 38.5 mt -63.68 171.56 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 28.3 t30 -137.96 121.22 11.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.73 157.85 91.53 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.746 -1.772 . . . . 0.0 112.336 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -62.59 -176.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -119.58 125.83 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 154.26 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.534 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -154.76 136.72 14.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -55.52 147.14 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.519 ' CG2' HD11 ' A' ' 11' ' ' LEU . 70.4 mt -82.83 -38.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.165 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -99.53 -49.55 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 ttt -56.38 -37.66 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -107.78 131.07 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.442 ' CG2' HD21 ' A' ' 8' ' ' LEU . 1.3 m -82.87 149.2 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 2.3 m-85 -116.3 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -128.44 149.79 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' THR . 13.7 tm0? -34.42 -47.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -50.87 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 68' ' ' THR . 43.2 mt-10 -57.44 -44.42 84.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.887 HG22 ' NE2' ' A' ' 76' ' ' GLN . 38.7 mm -47.43 -52.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -51.9 -45.0 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -55.75 -56.5 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.4 -60.5 3.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.887 ' NE2' HG22 ' A' ' 72' ' ' ILE . 36.0 mt-30 -50.88 -44.39 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.32 -33.77 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.0 m80 -102.44 -75.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.82 158.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.42 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -65.04 -9.64 23.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 37.7 tt0 -55.22 -65.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 83' ' ' CYS . 34.9 m -88.78 -41.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.1 m -42.16 -68.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.5 ttpp -41.03 -66.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.7 -48.34 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 122' ' ' VAL . 59.4 mt -54.9 -30.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.879 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -15.71 26.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.879 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.76 24.16 13.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -53.55 -48.72 59.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 mt -86.62 -34.98 19.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.403 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 25.8 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.834 0.264 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.95 176.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.75 37.19 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -127.07 -36.15 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -100.99 130.66 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.94 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -64.89 -46.9 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -65.54 -47.1 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.4 -41.51 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -62.91 -59.85 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -48.46 -41.96 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 t80 -69.8 -43.68 71.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 25' ' ' ASP . 13.7 mt -58.76 -33.19 70.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 49.5 mt-30 -63.46 -38.21 90.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.01 -13.04 62.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' NZ ' HD23 ' A' ' 111' ' ' LEU . 2.9 ttpm? -113.66 -11.14 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.01 -50.41 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLN . 9.4 mt-10 -81.89 -58.84 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -71.5 -26.52 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 55.59 39.61 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -50.8 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 2.6 m-90 -88.04 51.5 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.45 122.87 37.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 86' ' ' ILE . 90.2 t -149.83 105.23 3.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.74 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.7 66.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.2 Cg_endo -69.74 -36.77 10.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.388 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 124' ' ' PRO . 17.0 mt-10 -35.37 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 124' ' ' PRO . 6.0 tp-100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 66' ' ' THR . 2.9 mm? -61.99 -55.51 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.857 0.36 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.76 -35.95 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 83.8 mtp -76.07 -27.69 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 62' ' ' ILE . 2.5 tm? -60.92 -62.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -46.9 -37.1 8.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.23 -35.98 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.437 ' CE ' HG23 ' A' ' 72' ' ' ILE . 20.6 mtm -65.98 -57.54 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 p -55.89 -25.94 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -33.22 86.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD12 HD22 ' A' ' 20' ' ' ASN . 27.9 mt -47.75 153.14 1.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.616 0.722 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -44.3 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.752 2.301 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -72.29 1.05 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.521 HD22 HD12 ' A' ' 17' ' ' LEU . 87.1 m-20 -127.21 39.04 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.19 -21.34 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -127.99 163.33 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.64 175.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -102.75 -22.21 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.753 ' OD1' HD21 ' A' ' 111' ' ' LEU . 5.7 m-20 -108.17 -66.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASP . 15.1 p -84.97 9.92 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t0 35.47 38.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 28.3 tt0 -76.35 145.18 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.59 110.72 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.52 66.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.97 29.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 57.1 p -128.83 25.26 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.469 ' HB3' HG23 ' A' ' 42' ' ' VAL . 11.7 m-85 -150.91 158.69 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.72 124.53 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.8 t-20 -83.67 109.73 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mmt -65.12 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -110.4 13.53 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 34.46 36.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 65.7 p -110.56 177.43 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.39 113.23 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 33' ' ' TYR . 19.3 m -123.35 -175.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.3 p -118.16 -177.98 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -62.67 -61.01 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -38.64 -51.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -71.31 -46.06 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.63 ' HA ' HG11 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -47.94 -40.28 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -32.63 66.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.0 p -76.81 -37.9 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.385 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.42 -35.06 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -65.59 -11.69 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.72 -38.49 23.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 72.5 mt -52.66 172.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -144.44 119.39 5.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 152.84 92.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.379 -0.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 135.96 31.8 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -75.81 178.85 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -112.06 113.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.4 m -120.56 120.69 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -123.48 127.55 48.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -43.73 155.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.445 HG23 HD11 ' A' ' 11' ' ' LEU . 30.7 mt -89.53 -40.23 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t -102.45 -51.89 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.412 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 10.8 tpt -55.11 -27.94 48.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -118.48 135.93 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 8' ' ' LEU . 28.7 m -91.69 159.14 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' N ' HG22 ' A' ' 66' ' ' THR . 89.2 m-85 -124.17 176.83 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.92 151.64 51.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -42.06 -37.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.35 -53.67 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG23 ' CE ' ' A' ' 14' ' ' MET . 32.5 mm -42.14 -66.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -41.82 -56.12 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -49.62 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.47 -53.27 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -45.25 -32.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 15.7 m80 -96.49 -75.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.63 158.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -65.22 -10.58 32.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.88 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.14 -35.68 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -45.66 -68.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.1 ttpp -40.81 -66.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -44.99 -50.74 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.36 -28.48 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.423 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.26 -19.06 21.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 mt -101.68 14.04 33.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -33.39 -41.99 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 119' ' ' ARG . 20.4 mt -100.98 -48.7 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 9.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.798 0.249 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.58 171.16 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -122.56 -33.17 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.62 -29.51 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -112.39 128.69 25.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -40.81 4.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -47.9 -50.28 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -56.77 -55.45 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.48 -44.49 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.05 -66.89 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.19 -61.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 6.1 t80 -44.83 -47.86 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' OD1' ' A' ' 25' ' ' ASP . 19.3 mt -59.92 -30.64 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.9 mt-30 -73.22 -44.08 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.39 -12.77 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -103.75 -24.72 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.6 ' HE2' HD22 ' A' ' 111' ' ' LEU . 25.3 m-85 -111.84 -54.28 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' GLN . 33.0 mm-40 -68.3 -58.35 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -27.52 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 47.0 49.02 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.473 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 8.0 ptm180 -66.84 -51.88 50.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.53 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.3 m-90 -84.8 8.23 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -65.88 130.77 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.5 t -153.36 109.38 2.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.66 60.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.75 19.82 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -50.88 -26.52 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.5 mm? -48.15 -57.5 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -41.16 -38.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.477 ' HE1' ' HG2' ' A' ' 69' ' ' GLN . 36.5 mtm -80.84 -33.94 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -55.4 -46.84 76.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -53.78 -56.91 13.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -43.97 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 mtm -58.96 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -51.89 -18.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' NE ' ' A' ' 21' ' ' ARG . . . -78.94 -29.8 49.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD13 ' NE2' ' A' ' 19' ' ' HIS . 66.5 mt -38.35 144.55 0.38 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -11.98 31.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.49 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.2 p-80 -104.05 2.65 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 17' ' ' LEU . 83.6 m-20 -120.74 -18.11 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mmt180 -35.16 -36.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASN . 30.5 mtmt -117.65 178.49 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.21 179.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -92.55 -43.37 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.564 ' CG ' HD11 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -96.19 -66.89 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 12.4 p -75.11 1.64 12.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 37.83 35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.4 tp60 -68.3 139.12 55.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -74.57 113.72 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.43 68.73 0.81 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.29 39.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -129.22 20.66 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.792 ' HB3' HG23 ' A' ' 42' ' ' VAL . 22.1 m-85 -147.86 161.32 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.8 m -143.83 121.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.606 ' ND2' HD13 ' A' ' 50' ' ' LEU . 22.0 t-20 -76.4 63.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 75' ' ' LEU . 81.5 mmm -33.75 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' ASN . 22.3 m -55.32 -53.27 58.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.35 -40.97 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.48 27.93 4.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 p -118.77 179.97 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -109.3 119.57 39.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.5 m -119.37 -176.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.75 179.79 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 15.1 t -60.45 -34.62 74.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -67.05 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.5 m -53.17 -47.74 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.534 ' HA ' HG11 ' A' ' 59' ' ' VAL . 49.8 p -44.37 -32.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.33 -28.59 43.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.2 t -76.99 -45.28 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.606 HD13 ' ND2' ' A' ' 35' ' ' ASN . 51.7 mt -52.6 -39.99 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.69 -32.35 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.58 -34.46 86.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 16.2 mt -57.07 173.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 18.8 t-20 -143.47 119.89 6.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.71 157.16 92.22 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.334 -0.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.43 47.89 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -86.77 178.4 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.8 tpt85 -110.32 140.68 44.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -148.25 133.48 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -136.1 121.52 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -44.66 151.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.6 mt -87.92 -31.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -98.66 -54.95 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 29.6 tpp -57.46 -38.95 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.2 m -112.22 132.23 55.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.423 HG23 HD21 ' A' ' 8' ' ' LEU . 23.5 m -94.26 154.66 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 66' ' ' THR . 27.1 m-85 -114.86 -175.53 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 t -131.71 153.35 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' HG2' ' HE1' ' A' ' 10' ' ' MET . 1.5 tm0? -38.53 -53.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.95 -60.77 2.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -53.91 -57.14 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.49 HG22 ' CD ' ' A' ' 76' ' ' GLN . 3.8 mm -36.97 -48.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 13.6 mt-10 -59.1 -47.27 85.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 t80 -57.04 -25.78 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 36' ' ' MET . 22.5 mt -89.54 -41.37 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' CD ' HG22 ' A' ' 72' ' ' ILE . 85.0 mt-30 -65.61 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -64.44 -23.78 67.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' VAL . 34.3 m80 -106.01 -75.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 163.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.84 -13.86 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 29.4 tt0 -50.97 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.7 m -93.42 -37.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -44.06 -68.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.4 ttpt -39.62 -66.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.6 -50.6 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.3 mt -52.07 -28.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.437 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.3 m95 -94.29 -17.2 22.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 114' ' ' LYS . 6.4 mt -104.4 15.35 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -31.97 -44.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.52 -43.11 6.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 2.6 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.796 0.248 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.71 171.58 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 6.6 m-85 -124.62 -23.04 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.65 -14.85 61.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 108.11 40.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.89 -46.36 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.35 -50.07 49.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 111' ' ' LEU . 74.1 t -47.27 -42.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -53.42 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.82 -55.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -55.03 -43.17 73.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.564 HD11 ' CG ' ' A' ' 25' ' ' ASP . 13.2 mt -63.45 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 95.9 mt-30 -65.84 -38.36 88.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 16.2 mt-10 -65.04 -15.79 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -103.18 -24.24 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -107.94 -54.67 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 24.9 mm-40 -71.03 -56.89 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 5.7 mmmm -80.93 -25.84 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.3 mttt 45.42 42.39 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.552 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.0 ptm180 -61.91 -40.23 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.552 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 4.9 m-90 -97.12 22.93 7.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 122' ' ' VAL . 26.1 t80 -77.0 131.21 38.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 121' ' ' TYR . 53.6 t -159.09 105.02 1.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.5 68.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -40.47 5.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 124' ' ' PRO . 4.2 mp0 -35.72 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 124' ' ' PRO . 19.1 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.679 HD11 ' OG1' ' A' ' 66' ' ' THR . 3.6 mp -46.61 -44.67 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -42.11 -35.74 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LEU . 33.7 mtp -84.88 -47.39 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD12 ' CE ' ' A' ' 14' ' ' MET . 12.3 tp -37.0 -42.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -57.03 -56.38 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.57 -32.19 66.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.753 ' SD ' HG23 ' A' ' 72' ' ' ILE . 27.3 mtp -63.24 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.5 ' CG2' HG21 ' A' ' 62' ' ' ILE . 58.9 p -69.26 -12.11 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -92.78 -34.11 7.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.823 HD13 ' NE2' ' A' ' 19' ' ' HIS . 81.1 mt -35.87 153.65 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.7 2.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.823 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.0 p-80 -70.0 -9.57 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -118.29 34.86 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -90.66 -27.69 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -125.4 176.45 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' GLN . 2.2 t -71.73 174.02 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -94.74 -30.2 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' OD1' HD21 ' A' ' 111' ' ' LEU . 1.4 m-20 -102.47 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.76 8.24 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.569 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 m-20 38.82 33.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' CYS . 17.2 tt0 -75.64 144.03 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 2.4 tmm_? -83.14 134.44 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 93.66 53.71 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 53.9 Cg_endo -69.76 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.3 t -108.29 28.31 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.712 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.0 m-85 -149.43 159.15 44.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.97 132.61 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' GLY . 37.8 t-20 -82.93 114.68 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.89 -24.98 55.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -76.76 -45.92 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.8 -31.33 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 86.71 26.24 32.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.2 p -107.08 175.92 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -110.96 109.68 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -112.73 -177.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.7 p -115.64 177.12 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -57.68 -37.17 72.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.5 t -63.96 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' SER . 82.7 m -57.36 -51.8 67.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 59' ' ' VAL . 93.7 p -41.74 -28.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.8 -32.86 20.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -72.69 -47.55 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -48.53 -33.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -65.35 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.55 -31.47 74.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 112' ' ' GLN . 34.2 mt -58.21 171.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.429 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 57.6 t30 -138.03 120.31 10.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.73 157.62 91.79 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.332 -0.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.78 6.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -63.47 178.44 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -119.87 127.42 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 47' ' ' SER . 2.2 m -133.98 154.51 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -148.51 152.46 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 47.0 m -76.08 138.83 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG21 ' CG2' ' A' ' 15' ' ' THR . 17.7 mt -80.54 -28.37 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -104.05 -55.17 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.48 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 7.3 ttp -58.99 -34.59 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.3 m -118.34 138.04 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.679 ' OG1' HD11 ' A' ' 8' ' ' LEU . 8.5 t -83.18 -177.03 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.403 ' N ' ' OG1' ' A' ' 66' ' ' THR . 38.4 m-85 -144.02 -177.05 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.1 t -134.03 142.76 47.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -34.05 -49.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -50.71 -46.07 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 68' ' ' THR . 6.2 mm-40 -65.02 -61.09 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.753 HG23 ' SD ' ' A' ' 14' ' ' MET . 1.4 mp -35.97 -64.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -46.69 -52.4 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.27 -26.83 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.36 -51.62 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.91 -49.8 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -52.78 -27.2 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.4 m80 -101.43 -75.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.77 162.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -63.66 -10.8 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -53.83 -64.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.7 m -93.16 -33.23 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -47.2 -68.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -41.3 -65.81 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -45.18 -50.1 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.76 -31.07 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.798 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -92.14 -14.27 29.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.5 mt -109.67 25.24 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.37 -47.62 68.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.52 14.97 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.119 0 CA-C-O 120.759 0.233 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.38 162.99 14.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.1 m-85 -115.19 42.97 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -130.36 -38.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.95 117.4 64.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.67 31.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -76.82 -57.73 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.08 -41.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -58.74 -48.63 80.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -57.92 -53.46 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -56.96 -45.59 82.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD21 ' OD1' ' A' ' 25' ' ' ASP . 15.0 mt -58.38 -37.01 74.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.694 ' HG2' HD22 ' A' ' 53' ' ' LEU . 64.6 mt-30 -61.71 -43.19 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.02 -12.62 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 13.8 ttmt -98.23 -29.09 13.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.479 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 6.9 m-85 -118.08 -56.15 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 112' ' ' GLN . 11.0 mt-10 -58.36 -35.0 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -111.5 -19.89 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HD3' ' CG ' ' A' ' 121' ' ' TYR . 31.9 mttt 48.25 49.11 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.12 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -87.01 45.58 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.509 ' CG ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t80 -89.75 106.63 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.61 102.66 12.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 154.79 67.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -38.6 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -38.8 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' PRO . 16.6 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 8' ' ' LEU . 3.9 mm? -46.05 -51.38 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -44.23 -59.51 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.74 -47.69 85.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 62' ' ' ILE . 19.5 tp -40.28 -56.7 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -48.81 -44.46 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -46.1 -46.07 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mpp? -62.84 -58.61 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -43.41 -33.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -63.93 -46.03 92.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.577 HD12 HD22 ' A' ' 20' ' ' ASN . 71.6 mt -37.81 153.8 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.5 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 17' ' ' LEU . 23.5 p-80 -65.04 -10.44 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.577 HD22 HD12 ' A' ' 17' ' ' LEU . 81.7 m-20 -116.97 34.02 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 21.8 mmm180 -87.96 -39.63 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -123.89 -176.72 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.18 175.74 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.5 t80 -96.36 -24.61 16.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -106.73 -70.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.27 -5.9 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' HB2' ' A' ' 22' ' ' LYS . 2.5 m-20 45.77 44.58 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.97 103.37 13.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -43.78 125.32 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 61.02 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.13 59.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.778 HG23 ' HD1' ' A' ' 33' ' ' TYR . 5.3 t -131.62 19.0 4.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.778 ' HD1' HG23 ' A' ' 32' ' ' THR . 29.4 m-85 -148.41 160.09 43.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.44 118.49 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.626 ' ND2' HG23 ' A' ' 38' ' ' VAL . 36.7 t30 -72.58 101.15 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.3 mmt -56.1 -46.0 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 m -50.36 -47.98 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.626 HG23 ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -105.99 17.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.46 37.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.6 p -108.07 177.34 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.05 114.47 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 33' ' ' TYR . 28.8 m -120.04 177.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.11 177.79 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -60.95 -34.85 75.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -64.73 -67.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' SER . 39.5 m -57.76 -52.56 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.622 ' HA ' HG11 ' A' ' 59' ' ' VAL . 66.7 p -35.55 -44.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.17 -39.39 83.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -66.97 -52.04 47.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 53' ' ' LEU . 8.5 mt -42.11 -37.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -62.61 -41.52 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.06 -31.67 48.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 50' ' ' LEU . 33.9 mt -51.44 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 11.5 t-20 -137.44 116.09 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.76 159.02 90.39 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.57 28.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.09 -177.04 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -118.35 130.21 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.4 m -134.13 145.17 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -148.57 121.67 8.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -45.57 157.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.918 HG23 HD21 ' A' ' 11' ' ' LEU . 88.0 mt -90.95 -45.09 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -92.22 -50.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.0 tpp -57.95 -37.33 73.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m -112.79 135.94 52.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 t -85.49 169.46 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -134.11 160.64 37.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 t -114.98 161.33 18.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -40.77 -44.92 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.85 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -52.88 -59.78 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.0 mm -38.18 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.78 -42.96 85.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -56.08 -46.37 79.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -57.4 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.3 mt-30 -54.68 -41.61 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -53.95 -27.65 32.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -110.12 -75.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.71 158.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -58.52 -18.34 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.97 -64.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' HIS . 28.1 m -92.25 -37.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.43 -68.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.1 ttpt -40.64 -67.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -44.15 -50.68 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.06 -29.54 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 88' ' ' LEU . 94.5 m95 -93.53 -15.39 25.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 87' ' ' TRP . 3.0 mt -111.27 26.06 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.4 -50.11 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.95 -34.89 16.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 6.9 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.801 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.19 162.01 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -115.2 33.06 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -117.56 -36.79 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.99 125.12 45.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -17.84 37.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.741 2.294 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.0 -49.16 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 6.2 mmmm -67.23 -44.25 79.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.08 -45.83 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -58.43 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.6 pt-20 -48.68 -41.94 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.5 t80 -66.25 -54.82 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.501 HD21 ' OD1' ' A' ' 25' ' ' ASP . 13.0 mt -52.6 -46.37 66.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 116' ' ' GLU . 82.0 mt-30 -62.13 -44.01 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -62.88 -12.55 25.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.692 ' HE3' HD21 ' A' ' 88' ' ' LEU . 7.6 ttmm -103.03 -24.01 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 15.1 m-85 -116.4 -56.02 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -61.95 -51.46 68.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -91.81 -28.04 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 18.7 mttp 56.15 37.2 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 120' ' ' TRP . 58.9 ttt85 -48.84 -71.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.468 ' CE2' ' HD3' ' A' ' 119' ' ' ARG . 1.8 m-90 -81.9 40.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 28.8 t80 -85.48 121.11 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -145.53 106.34 4.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 148.41 64.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' PRO . 14.9 mm-40 -34.53 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 34.1 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.58 -46.67 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -47.73 -48.1 29.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LEU . 5.1 mtt -53.94 -47.37 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER -37.6 -58.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -43.94 -44.55 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.35 -46.87 73.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.457 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.0 mpp? -60.37 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.5 p -46.83 -37.01 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -52.62 -49.34 53.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.747 HD13 ' NE2' ' A' ' 19' ' ' HIS . 42.4 mt -36.55 151.69 0.11 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.64 21.96 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.747 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.8 p-80 -83.41 -0.69 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 93.4 m-20 -127.25 35.38 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -93.27 -29.76 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -128.12 172.18 11.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.87 174.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.74 -25.51 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.974 ' CG ' HD21 ' A' ' 111' ' ' LEU . 4.8 m-20 -108.57 -68.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ASP . 17.8 p -75.94 5.57 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.7 m-20 35.22 49.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -91.81 119.44 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -57.44 133.53 55.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.43 55.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.84 13.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.757 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.1 t -116.01 25.12 10.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.757 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.1 m-85 -150.91 163.71 38.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.33 124.75 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -74.04 108.75 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -66.82 -30.35 70.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -73.25 -63.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.65 -29.22 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.82 27.73 40.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 p -113.26 -179.69 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 23.0 m-85 -108.07 117.93 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.7 m -120.35 -178.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.0 -178.33 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -67.26 -27.48 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.4 t -70.93 -67.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 60.6 m -55.53 -47.96 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.744 ' HA ' HG11 ' A' ' 59' ' ' VAL . 23.5 p -38.56 -44.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 -34.72 61.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.7 m -70.0 -53.9 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD22 ' ND1' ' A' ' 57' ' ' HIS . 5.0 mt -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -58.97 -41.38 87.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -49.89 -36.21 26.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 116' ' ' GLU . 32.1 mt -57.91 173.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.5 t30 -137.41 121.46 12.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.8 155.74 93.23 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.384 0.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.95 4.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' ND1' HD22 ' A' ' 50' ' ' LEU . 19.8 m170 -63.51 173.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -113.45 128.84 56.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.744 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.4 OUTLIER -131.95 139.88 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -139.09 137.23 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -57.93 152.07 16.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.36 -36.51 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 m -103.26 -47.77 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.57 -37.68 88.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 m -110.98 144.63 39.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -98.45 171.7 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -137.5 166.29 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.594 HG22 ' OE1' ' A' ' 71' ' ' GLU . 2.6 t -108.69 161.9 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.47 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 48.9 tp60 -45.3 -65.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.1 pt20 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.594 ' OE1' HG22 ' A' ' 68' ' ' THR . 70.1 mt-10 -64.24 -54.34 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG23 ' CE ' ' A' ' 14' ' ' MET . 38.2 mm -45.19 -57.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 11.4 mm-40 -53.8 -60.53 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -41.76 -33.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.72 -44.07 34.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -66.0 -50.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -47.96 -30.25 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.527 ' O ' HG22 ' A' ' 82' ' ' VAL . 29.7 m80 -100.8 -75.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 58.4 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.91 -17.02 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -49.95 -61.96 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.0 m -93.21 -37.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.89 -68.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.7 ttpp -39.8 -66.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -44.59 -51.06 9.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -52.06 -28.4 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.417 ' C ' HD23 ' A' ' 88' ' ' LEU . 96.9 m95 -94.03 -20.2 20.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 6.0 mt -102.33 20.55 16.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.93 -49.44 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.42 -32.4 14.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.758 0.232 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.62 160.8 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.05 -38.44 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -49.24 -35.2 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.9 135.82 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -42.15 -55.68 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -49.63 -44.16 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 111' ' ' LEU . 58.0 t -69.9 -37.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -58.14 -61.77 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -48.3 -56.11 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.1 t80 -57.56 -39.52 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.974 HD21 ' CG ' ' A' ' 25' ' ' ASP . 13.6 mt -60.32 -42.88 96.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.8 mt-30 -58.08 -56.98 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.52 -13.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -91.12 -37.52 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.722 ' HE2' HD22 ' A' ' 111' ' ' LEU . 2.6 m-85 -117.97 -55.02 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.612 ' HG2' HD22 ' A' ' 53' ' ' LEU . 6.9 mm-40 -49.66 -44.39 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -105.76 -26.94 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.48 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 21.0 mttp 60.04 54.96 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -60.71 -69.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.1 m-90 -85.96 39.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.48 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 14.7 t80 -82.13 108.8 15.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.56 105.01 8.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.5 56.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.02 27.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.65 -35.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 66' ' ' THR . 4.2 mm? -41.61 -60.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -37.44 -52.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.63 ' CB ' HG21 ' A' ' 72' ' ' ILE . 88.2 mmm -52.16 -45.05 64.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -42.2 -48.68 4.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 43.8 mtm180 -56.69 -57.13 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -35.63 -47.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 mpp? -56.61 -56.91 15.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.3 p -51.66 -35.63 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -53.65 -51.27 49.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD12 HD22 ' A' ' 20' ' ' ASN . 32.3 mt -35.55 151.34 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HA ' ' CG ' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.79 -36.94 9.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.7 p-80 -73.43 -22.03 60.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.705 HD22 HD12 ' A' ' 17' ' ' LEU . 92.0 m-20 -106.02 39.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 16.8 mmm180 -96.56 -27.39 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -123.6 175.91 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.48 176.02 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -97.48 -30.4 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.58 -70.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 13.3 p -69.42 -4.41 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 43.33 40.2 2.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 48.1 tt0 -80.09 163.31 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 50.7 ttp180 -94.53 111.2 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.27 65.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 62' ' ' ILE . 53.7 Cg_endo -69.74 124.6 11.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.827 ' HA ' HD12 ' A' ' 62' ' ' ILE . 68.3 p -117.33 23.36 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.163 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.541 ' HB3' HG23 ' A' ' 42' ' ' VAL . 9.9 m-85 -149.7 166.5 29.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 41' ' ' PHE . 15.8 m -152.16 122.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.67 111.8 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mmm -71.95 -26.92 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.4 m -70.74 -53.03 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -85.06 -31.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.21 28.48 20.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 p -112.08 177.99 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 16.4 m-85 -111.36 114.81 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' A' ' 33' ' ' TYR . 29.6 m -119.51 -175.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 p -114.08 176.01 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' CE1' ' A' ' 33' ' ' TYR . 1.7 m -59.84 -41.56 91.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.29 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' SER . 71.0 m -57.48 -54.81 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.57 ' HA ' HG11 ' A' ' 59' ' ' VAL . 53.0 p -38.13 -35.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.3 -39.69 51.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.5 m -67.52 -53.46 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD22 ' ND1' ' A' ' 57' ' ' HIS . 3.7 mt -40.07 -45.09 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -49.95 -43.67 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.12 -30.94 25.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 116' ' ' GLU . 53.7 mt -55.7 172.99 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -144.71 116.31 5.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.54 91.06 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.319 -0.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 120.71 7.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.4 m170 -59.53 173.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -110.46 115.14 29.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.8 m -124.03 142.63 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -141.71 128.16 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -54.08 158.61 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' THR . 91.9 mt -88.96 -37.6 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.9 p -103.34 -50.53 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.0 mmm -59.94 -24.61 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -125.13 148.36 48.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 8' ' ' LEU . 11.9 t -100.12 176.2 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -144.35 169.22 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.52 HG22 ' OE2' ' A' ' 71' ' ' GLU . 8.0 t -126.17 147.18 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.157 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 2.4 tm0? -34.36 -53.87 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -44.15 -46.07 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' HG22 ' A' ' 68' ' ' THR . 42.6 mt-10 -76.66 -41.89 43.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.63 HG21 ' CB ' ' A' ' 10' ' ' MET . 44.4 mm -48.65 -58.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -55.36 -55.81 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.2 t80 -46.17 -34.46 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -25.65 41.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 36.0 mt-30 -80.61 -46.71 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.11 -15.3 5.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.6 m80 -111.53 -76.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.38 159.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.52 -13.61 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -52.66 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.4 m -91.57 -38.86 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.66 -68.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.1 tttt -40.33 -65.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLY . 29.9 mt-30 -43.77 -50.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 122' ' ' VAL . 75.2 mt -51.97 -36.78 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.937 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -86.43 -12.87 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.937 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -115.24 14.78 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -55.34 -41.68 80.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 122' ' ' VAL . 11.8 mt -93.12 -24.94 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 120' ' ' TRP . 5.2 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.78 0.242 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.83 159.55 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 12.3 m-85 -111.79 -39.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -43.84 -26.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -114.29 120.43 38.31 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -19.72 35.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.79 -44.86 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -67.3 -48.87 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.07 -38.33 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -51.6 -56.3 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -54.05 -65.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.442 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 12.2 t80 -44.4 -47.19 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.419 HD22 ' HE2' ' A' ' 115' ' ' TYR . 14.3 mt -52.8 -53.14 52.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.494 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 94.5 mt-30 -50.71 -52.99 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.428 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 38.9 mm-40 -58.15 -12.65 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -93.07 -35.76 13.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.419 ' HE2' HD22 ' A' ' 111' ' ' LEU . 6.8 m-85 -118.44 -56.04 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.554 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.4 mt-10 -52.22 -38.64 58.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 25.4 mmtt -109.89 -21.22 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 mttp 54.21 47.13 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -53.33 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 1.5 m-90 -89.02 47.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -90.89 109.4 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 86' ' ' ILE . 54.5 t -128.75 107.68 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.44 63.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.7 -38.84 7.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.751 2.301 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 126' ' ' GLN . 6.8 pt-20 -36.03 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 125' ' ' GLU . 1.1 tm0? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.92 -43.53 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -53.25 -38.82 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtm -74.13 -48.3 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -45.69 -62.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -41.48 -29.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.01 -40.67 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 29.7 mtm -65.14 -63.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 t -56.02 -15.66 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.62 -33.96 41.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.723 HD13 ' NE2' ' A' ' 19' ' ' HIS . 13.7 mt -41.08 152.54 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.1 Cg_endo -69.82 -22.38 31.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.723 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.1 p-80 -87.14 -1.97 58.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -120.14 -14.5 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 18.7 mmm180 -40.28 -33.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -117.77 158.17 25.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 2.5 t -55.17 173.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 22.4 t80 -95.0 -22.05 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.62 -66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 p -82.38 4.51 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 1.0 OUTLIER 44.17 26.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLY . 39.3 tt0 -62.65 108.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.73 85.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 140.94 66.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.9 26.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.8 t -126.65 18.56 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 32' ' ' THR . 20.2 m-85 -149.64 165.55 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.444 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 3.3 m -140.9 137.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' THR . 15.7 t-20 -92.63 75.98 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 75' ' ' LEU . 83.0 mmm -43.11 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' ASN . 61.4 m -68.57 -53.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 48.4 t -88.44 -46.78 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.29 5.61 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p -109.16 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 3.3 m-85 -109.89 100.41 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 50' ' ' LEU . 34.8 m -103.2 -175.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.07 -178.04 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 0.6 OUTLIER -62.91 -51.34 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -48.81 -49.15 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.58 -30.97 66.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.4 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.8 p -49.61 -34.34 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.5 -30.39 30.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -75.69 -22.51 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 42' ' ' VAL . 16.0 mt -87.57 -40.34 14.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -77.08 -8.3 57.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.53 -20.55 54.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.12 178.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 10.4 t-20 -138.76 115.34 8.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.73 156.16 92.83 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.05 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -81.9 -178.53 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -116.99 127.53 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -136.07 130.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -127.99 134.42 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.9 m -54.57 147.78 13.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -81.91 -33.35 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.1 p -103.13 -53.87 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 tpp -56.08 -42.72 77.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -108.26 138.88 43.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.6 p -92.32 -175.03 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CZ ' HG21 ' A' ' 34' ' ' VAL . 92.3 m-85 -143.82 -176.97 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 71' ' ' GLU . 2.8 t -131.38 148.84 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 12.0 tm0? -36.67 -56.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -45.98 -58.92 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 68' ' ' THR . 16.8 mm-40 -59.78 -57.15 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mm -36.86 -55.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 22.8 mm-40 -56.08 -56.18 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 t80 -44.72 -30.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 36' ' ' MET . 32.6 mt -85.73 -29.65 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.4 mt-30 -75.63 -38.02 59.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -69.72 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.639 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.9 m80 -112.42 -75.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.7 158.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.7 m-20 -61.19 -13.1 15.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.72 -60.99 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.2 m -93.01 -32.65 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.26 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -39.02 -63.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.53 -50.14 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.0 mt -52.08 -36.91 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.839 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.1 m95 -85.9 -14.42 44.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.839 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -110.44 17.79 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.68 -44.86 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.31 -18.06 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.2 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.823 0.26 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -93.71 155.72 17.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 49.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -134.34 -35.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.24 133.1 20.47 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.667 0.746 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.38 16.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.7 -51.21 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -61.51 -49.01 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.1 -39.46 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG2' ' NE2' ' A' ' 112' ' ' GLN . 7.9 ttmt -64.81 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -45.46 -33.39 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 2.9 t80 -79.2 -48.82 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.18 -37.83 70.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 80.3 mt-30 -60.4 -56.73 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 46.7 mm-40 -57.21 -13.19 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.45 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 35.0 tttt -94.24 -35.48 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.97 -55.58 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.3 mm-40 -54.9 -31.59 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER -114.49 -26.91 7.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 56.77 49.8 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -60.93 -70.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.48 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.4 m-90 -82.31 49.3 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -90.99 127.41 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 86' ' ' ILE . 82.8 t -153.73 104.99 2.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.49 69.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.7 Cg_endo -69.74 -34.18 15.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 40.4 mt-10 -35.23 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 84.2 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 66' ' ' THR . 4.2 mp -47.57 -46.86 28.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -48.4 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 mmm -56.97 -36.09 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 11' ' ' LEU . 1.4 tm? -38.68 -65.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -41.59 -38.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.84 -46.61 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.688 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.1 mpp? -63.26 -57.57 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.2 p -51.14 -29.95 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.38 95.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD12 HD22 ' A' ' 20' ' ' ASN . 24.9 mt -46.25 153.07 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.09 2.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' NE2' HD13 ' A' ' 17' ' ' LEU . 14.7 p-80 -70.3 -1.1 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.596 HD22 HD12 ' A' ' 17' ' ' LEU . 92.8 m-20 -124.25 34.32 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.49 -20.86 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -131.73 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.1 t -56.02 171.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -96.21 -26.21 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.25 -69.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.96 3.18 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.34 36.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.5 151.39 45.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.48 102.81 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.59 67.33 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.09 22.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.1 p -124.79 22.73 8.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -151.01 162.7 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.46 122.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' GLY . 17.5 t-20 -79.65 86.08 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.7 mmm -43.47 -47.64 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.1 m -52.32 -41.39 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -108.35 14.54 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 39.1 32.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -108.47 166.64 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -105.0 115.7 30.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 33' ' ' TYR . 13.2 m -122.28 -178.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.45 179.42 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 9.3 t -62.88 -40.18 96.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 44' ' ' THR . 17.0 t -58.52 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' SER . 69.1 m -55.29 -56.72 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.435 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.5 p -36.5 -36.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.58 75.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' CYS . 31.7 m -68.92 -50.56 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 11.2 mt -41.21 -41.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -60.5 -42.75 96.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.38 -35.02 20.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 68.9 mt -51.96 168.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -137.95 117.74 10.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.31 89.87 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.363 -0.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 24.6 m170 -65.14 -175.99 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -123.48 126.25 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -132.3 135.37 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -131.47 119.83 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 5.8 m -45.19 155.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.3 mt -90.48 -34.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -102.84 -46.72 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.43 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 2.8 mpp? -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -110.35 138.51 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 8' ' ' LEU . 31.8 p -91.6 -178.73 5.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -138.62 179.94 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 71' ' ' GLU . 4.1 t -132.61 153.12 51.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' THR . 32.8 tp60 -38.45 -54.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -49.85 -57.23 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.523 ' H ' HG23 ' A' ' 68' ' ' THR . 75.2 mt-10 -57.84 -56.65 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.688 HG23 ' CE ' ' A' ' 14' ' ' MET . 47.1 mm -36.91 -63.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -50.28 -56.63 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.0 -41.1 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.7 mt -69.4 -50.64 44.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -56.51 -53.97 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -45.94 -34.75 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.5 m80 -96.82 -75.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.93 160.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -61.68 -15.65 41.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -48.48 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.91 -37.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -43.39 -67.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 ttpt -41.05 -67.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -43.9 -49.4 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.07 -30.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.461 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -92.34 -12.41 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 87' ' ' TRP . 7.5 mt -108.59 20.65 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.35 -56.06 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.3 mt -81.48 -41.08 22.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.4 t80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.763 0.235 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' PHE . 1.1 m-20 -85.87 31.61 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' ASP . 1.6 m-85 35.9 44.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -127.7 -30.21 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 17.3 m-20 -114.11 129.61 24.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -26.79 27.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -68.74 -45.94 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.47 -44.81 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.18 -53.29 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -47.17 -52.35 15.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.86 -50.11 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.2 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.2 -35.21 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 116' ' ' GLU . 27.7 mt-30 -68.21 -36.54 79.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -72.13 -12.05 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.413 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 9.1 tttp -97.13 -32.02 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.41 ' HE2' HD21 ' A' ' 50' ' ' LEU . 4.5 m-85 -118.29 -47.37 2.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.26 -33.4 75.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -114.51 -25.36 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 121' ' ' TYR . 18.3 mtpt 55.62 45.02 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -55.22 -69.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -84.07 43.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 22.6 t80 -89.24 115.41 26.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.1 t -142.45 105.0 5.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.23 68.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.79 6.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -41.5 -32.91 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.859 HD11 ' HB ' ' A' ' 66' ' ' THR . 3.8 mp -46.55 -42.47 15.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -46.71 -51.63 15.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.579 ' HB2' HG21 ' A' ' 72' ' ' ILE . 74.6 mmm -53.27 -39.24 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -42.78 -48.69 5.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.37 -55.24 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.78 -42.03 24.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.486 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 31.7 mtm -63.64 -53.75 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -51.6 -31.39 24.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.01 95.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 ' NE2' ' A' ' 19' ' ' HIS . 19.3 mt -38.7 145.71 0.34 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.639 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -73.23 1.43 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' LYS . 58.6 m-20 -117.25 -26.44 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -40.71 -27.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.5 mtmp? -123.75 171.65 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' GLN . 1.8 t -73.01 -179.9 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -96.28 -38.18 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CG ' HD21 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -99.26 -69.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 18.6 p -73.56 2.0 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 42.89 31.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' CYS . 3.2 tp-100 -69.93 144.09 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -84.71 113.65 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.08 66.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.6 35.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 65.2 p -124.97 18.33 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.565 ' HB3' HG23 ' A' ' 42' ' ' VAL . 19.1 m-85 -146.35 168.32 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -144.38 131.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' CG ' HG22 ' A' ' 37' ' ' THR . 21.3 t30 -84.01 83.0 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mmm -57.29 -17.76 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 HG23 ' A' ' 38' ' ' VAL . 1.7 t -77.99 -17.81 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.753 HG23 HG23 ' A' ' 37' ' ' THR . 69.4 t -126.02 -55.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.73 18.3 2.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -106.76 176.6 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.02 112.47 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 33' ' ' TYR . 26.8 m -109.07 177.32 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.97 176.67 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.405 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 5.6 m -57.31 -32.77 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -69.64 -67.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.57 -41.74 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.775 ' HA ' HG11 ' A' ' 59' ' ' VAL . 95.3 p -47.88 -33.74 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA2' ' NH2' ' A' ' 51' ' ' ARG . . . -85.79 -29.25 26.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 -46.85 46.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.82 -29.41 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' NH2' ' HA2' ' A' ' 48' ' ' GLY . 27.1 mtm105 -67.97 -44.73 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.61 -33.8 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.641 HD22 ' HG3' ' A' ' 116' ' ' GLU . 61.7 mt -55.45 170.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -141.33 117.37 7.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 160.46 87.92 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.366 -0.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.34 62.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 37' ' ' THR . 11.7 m170 -84.09 -174.87 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.95 119.62 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 47' ' ' SER . 6.5 m -132.26 136.94 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 65' ' ' THR . 14.2 mtpp -138.1 126.75 23.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 2.8 p -43.13 154.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' CA ' ' A' ' 33' ' ' TYR . 64.9 mt -92.39 -47.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 m -94.28 -33.73 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.8 ttt -81.46 16.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE3' ' A' ' 60' ' ' LYS . 33.6 m -160.66 139.82 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.859 ' HB ' HD11 ' A' ' 8' ' ' LEU . 61.7 p -95.12 148.86 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -121.73 163.79 18.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HG3' ' A' ' 71' ' ' GLU . 9.3 t -117.79 157.18 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.474 ' NE2' ' HG3' ' A' ' 73' ' ' GLU . 7.1 tp60 -34.59 -53.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.48 -63.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 68' ' ' THR . 18.6 mt-10 -55.04 -43.64 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' A' ' 10' ' ' MET . 29.7 mm -54.45 -65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 33.6 mt-10 -49.59 -35.31 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t80 -66.34 -32.5 73.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.75 -27.43 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 82.6 mt-30 -78.96 -39.32 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -67.15 -21.61 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 24.9 m80 -105.08 -75.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.15 167.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.82 -7.85 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.45 -61.01 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 83' ' ' CYS . 21.1 m -93.11 -45.25 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 82' ' ' VAL . 6.6 m -37.22 -68.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.94 -64.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -45.05 -48.03 11.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.7 -28.94 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.818 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -93.44 -14.78 26.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.818 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -109.35 14.32 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.24 -53.6 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.1 mt -85.17 -38.68 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.806 0.252 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.61 176.73 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -127.56 -31.17 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.43 -26.54 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.07 123.03 38.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.825 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.63 12.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.632 2.222 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -52.93 -44.97 67.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -65.94 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 111' ' ' LEU . 59.1 t -48.78 -36.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -56.57 -59.3 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -50.72 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 4.4 t80 -47.12 -43.7 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 107' ' ' VAL . 12.4 mt -58.26 -38.59 77.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 68.2 mt-30 -59.49 -56.17 25.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.36 -12.81 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.525 ' HZ1' HD21 ' A' ' 88' ' ' LEU . 33.4 tttt -95.87 -33.55 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -117.54 -55.92 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.641 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.3 mt-10 -54.55 -42.25 70.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -105.96 -22.22 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.8 mttt 51.73 47.84 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -53.99 -67.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -87.05 54.26 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -95.98 102.38 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.58 101.42 24.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 0.0 112.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -43.84 -32.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 t -148.24 143.94 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -146.37 157.52 43.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.74 -48.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -174.79 126.74 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 0.0 110.797 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -86.32 130.72 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.67 -53.95 3.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -46.25 -40.27 11.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -52.76 -38.97 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.9 mmt -76.5 -28.9 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 62' ' ' ILE . 2.8 tt -67.98 -59.81 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -46.34 -22.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.12 -34.26 32.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 41.8 mtm -68.02 -60.98 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -62.4 -11.39 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.68 -34.82 27.0 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.957 HD13 ' NE2' ' A' ' 19' ' ' HIS . 18.4 mt -42.09 153.64 0.28 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.619 0.723 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -17.6 37.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.228 . . . . 0.0 112.312 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.957 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.8 p-80 -94.18 5.5 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -125.68 -12.35 6.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -45.38 -31.4 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -115.41 160.95 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.32 -179.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -96.05 -26.9 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 -70.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -70.55 -4.08 21.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 t70 48.53 31.02 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 HE22 ' CA ' ' A' ' 30' ' ' GLY . 1.2 tm0? -71.62 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 29' ' ' ARG . 3.6 ptp85 -70.99 89.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' CA ' HE22 ' A' ' 28' ' ' GLN . . . 140.11 66.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 136.66 33.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.715 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.5 t -127.18 18.65 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.715 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.9 m-85 -149.97 161.14 42.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.1 m -142.14 131.12 22.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -84.4 118.63 24.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -74.05 -23.95 59.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -80.34 -61.31 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 t -74.7 -26.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.79 34.85 37.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 p -116.03 -179.35 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 4.6 m-85 -114.98 103.82 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -105.59 -175.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 25.5 p -116.38 179.87 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -60.78 -39.14 87.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.9 m -61.96 -59.04 5.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 49' ' ' SER . 79.6 m -62.32 -51.18 68.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.548 ' HA ' HG11 ' A' ' 59' ' ' VAL . 79.2 p -37.81 -45.32 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.56 -37.43 68.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' CYS . 17.8 m -63.7 -56.34 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD11 HG11 ' A' ' 42' ' ' VAL . 10.1 mt -40.39 -48.26 2.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 9.0 mtp-105 -50.72 -45.19 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.13 -33.24 22.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.534 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.846 HD22 ' OE1' ' A' ' 116' ' ' GLU . 42.7 mt -61.17 172.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.441 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.9 t30 -141.53 122.13 8.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.615 0.721 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.9 Cg_endo -69.71 153.83 92.95 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.309 -0.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.26 4.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -60.15 -177.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -120.51 115.66 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.7 m -122.27 146.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -145.11 127.86 16.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.429 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -52.42 158.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 32' ' ' THR . 60.2 mt -90.64 -38.8 11.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.2 p -103.89 -30.98 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 4.6 tmm? -78.36 -20.61 50.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -132.19 153.16 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -99.07 176.95 5.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -149.7 161.52 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.88 168.14 9.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -52.05 -61.42 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 16.5 pt20 -41.52 -32.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 77.5 mt-10 -82.63 -54.58 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.0 mm -47.03 -58.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -52.15 -42.62 63.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -59.79 -41.35 90.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.79 -33.48 60.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 48.7 mt-30 -70.03 -42.08 73.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -69.13 -15.17 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.6 m80 -106.16 -75.56 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.58 162.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -66.58 -17.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -47.47 -67.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 83' ' ' CYS . 33.1 m -86.81 -45.38 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 82' ' ' VAL . 8.4 m -38.32 -67.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -43.01 -64.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -44.94 -45.35 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.5 mt -59.74 -29.73 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.88 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.6 m95 -91.99 -14.89 28.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.88 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.63 24.36 13.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.64 -51.99 21.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.514 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.67 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -39.4 133.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 93' ' ' ASP . 13.0 m-20 -147.73 120.06 8.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' ASP . 6.8 p-10 -35.17 -37.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -80.66 -48.19 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.5 p -54.6 -44.16 72.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.2 m -149.01 173.71 13.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.85 176.01 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.562 HG23 ' HD2' ' A' ' 99' ' ' PRO . 14.2 mm -102.73 137.06 19.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.633 0.73 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -167.11 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -95.18 158.52 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -112.24 43.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -127.66 -37.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.55 135.0 19.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -37.59 9.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.4 -41.26 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -51.43 45.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 67.0 t -62.93 -32.13 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -71.77 -59.6 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -48.78 -33.64 10.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.489 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.4 t80 -78.27 -51.29 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.544 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.1 mt -52.15 -35.25 47.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 116' ' ' GLU . 98.1 mt-30 -62.55 -52.03 65.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 9.1 mt-10 -57.31 -12.67 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 6.4 tttp -96.46 -32.0 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.544 ' HE2' HD22 ' A' ' 111' ' ' LEU . 10.5 m-85 -116.46 -56.06 2.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.846 ' OE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -57.18 -41.75 79.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 19.0 mmtp -103.79 -27.58 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 35.9 mttp 54.64 50.07 16.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -61.69 -67.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.5 m-90 -84.9 40.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 10.3 t80 -89.03 104.73 17.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.7 t -133.67 98.71 14.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 156.08 64.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.543 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.8 Cg_endo -69.7 -38.73 7.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.315 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -39.88 -38.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -99.89 -44.57 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -39.29 -52.07 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -86.49 165.67 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 64.5 p -93.36 154.29 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -157.36 -171.43 23.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -9.88 27.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -133.49 105.75 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.2 m -103.99 85.16 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.52 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -97.73 -50.55 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 50.66 39.88 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 60.28 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -86.24 101.52 13.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -149.39 118.65 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.9 -58.87 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.1 mp -60.67 -46.01 91.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -42.99 -34.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtp -69.26 -39.31 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD1' HG23 ' A' ' 15' ' ' THR . 0.2 OUTLIER -51.21 -51.33 54.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.49 -47.35 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.56 -34.69 73.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.7 mtm -68.49 -52.97 26.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 11' ' ' LEU . 68.2 p -55.95 -26.66 48.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -34.52 63.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.444 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' NE2' ' A' ' 19' ' ' HIS . 76.9 mt -46.86 151.28 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.01 19.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.685 ' NE2' HD13 ' A' ' 17' ' ' LEU . 29.3 p-80 -84.2 4.76 29.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -131.1 29.95 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -90.45 -32.91 16.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -121.27 179.26 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.37 174.57 4.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 24.7 t80 -104.83 -14.66 15.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.586 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -111.33 -68.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.4 p -84.91 4.79 31.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 47.51 29.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 29' ' ' ARG . 59.3 tt0 -62.88 159.33 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 28' ' ' GLN . 2.1 tmt_? -96.41 110.34 22.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.15 68.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 125.04 11.64 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.6 p -119.13 19.71 12.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 14.8 m-85 -146.3 158.13 43.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 m -142.69 138.89 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.569 ' ND2' HD13 ' A' ' 50' ' ' LEU . 10.0 t-20 -88.94 112.05 22.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mmt -68.57 -30.04 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.6 m -72.72 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.0 t -74.0 -31.28 29.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.75 31.51 26.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 p -115.96 -179.18 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -110.61 119.69 39.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' HB3' ' A' ' 33' ' ' TYR . 17.1 m -121.13 -179.78 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 10.8 p -109.89 176.06 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 4.9 m -61.86 -47.12 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -54.13 -37.35 64.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -78.57 -41.63 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.0 p -42.7 -29.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.44 -41.54 7.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.5 m -65.06 -51.07 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD13 ' ND2' ' A' ' 35' ' ' ASN . 20.0 mt -44.5 -47.44 10.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 10.9 mtm105 -55.07 -46.35 75.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -47.02 -30.89 5.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 64.5 mt -61.1 167.37 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.954 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -137.88 120.19 10.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.79 158.42 91.12 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.352 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 120.02 6.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -61.27 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -126.03 122.11 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.42 152.8 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -150.42 119.1 6.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.4 m -44.71 151.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.44 -38.77 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.179 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.9 t -101.27 -49.75 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 ttt -59.16 -34.07 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.6 m -116.32 142.11 47.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -88.31 170.42 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.91 170.73 15.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 71' ' ' GLU . 3.5 t -125.04 158.22 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -44.39 -43.8 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -57.27 -63.43 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' H ' HG23 ' A' ' 68' ' ' THR . 43.6 mt-10 -50.29 -50.44 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.4 mm -48.97 -59.22 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -50.17 -59.39 3.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -41.45 -56.48 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.5 mt -53.66 -56.23 19.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -49.81 -45.61 50.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -52.37 -30.87 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' VAL . 76.5 m80 -109.35 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 57.28 159.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -55.37 -20.82 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 59.9 tt0 -47.57 -63.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.5 m -92.48 -36.74 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.82 -68.11 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 17.5 ttpt -41.67 -65.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.12 -49.17 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.8 mt -54.81 -28.57 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -94.63 -13.34 25.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -111.1 17.14 20.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.91 -54.23 3.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' PHE . 13.8 mt -83.89 -42.29 16.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LEU . 4.5 t80 -37.12 138.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -152.97 108.28 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -41.82 -31.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -55.66 -53.23 59.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.9 p -123.04 74.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.7 p -168.76 179.32 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.29 135.49 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.507 HG23 ' HD2' ' A' ' 99' ' ' PRO . 14.7 mm -101.5 135.27 19.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.8 -177.5 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.69 156.38 16.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.843 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.86 47.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -133.7 -43.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -100.1 125.46 39.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -30.04 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -57.62 -41.39 81.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -74.23 -62.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 76.2 t -44.75 -41.9 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -58.46 -50.82 72.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -56.03 -61.07 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.2 t80 -48.77 -47.42 41.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.672 HD22 ' HE2' ' A' ' 115' ' ' TYR . 13.3 mt -53.46 -42.16 66.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.9 mt-30 -61.58 -37.0 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.963 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -62.39 -17.5 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.498 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.22 -23.81 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.672 ' HE2' HD22 ' A' ' 111' ' ' LEU . 26.6 m-85 -104.81 -54.82 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.7 mm-40 -72.36 -58.85 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.1 -25.07 55.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 44.8 mttt 53.41 25.86 4.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' LYS . 14.4 ttt180 -35.7 -68.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -90.44 51.38 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 16.8 t80 -95.33 96.77 9.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 123' ' ' PRO . 55.8 t -120.99 98.83 47.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.747 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 122' ' ' VAL . 53.1 Cg_endo -69.86 152.15 68.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.9 Cg_endo -69.72 -30.7 22.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -45.04 -30.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.2 -41.13 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -59.61 -59.93 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -48.94 -54.39 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t 55.74 43.06 28.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.808 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.69 -160.93 9.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.68 67.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.8 t -110.09 107.83 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 63.5 m -66.91 -59.88 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.483 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -149.7 117.32 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.2 t -66.81 151.38 47.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.01 -56.61 0.84 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -130.19 103.45 6.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -5.59 6.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -18.75 3.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.3 -37.29 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.386 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -57.72 -36.46 72.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 mmm -78.5 -41.06 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD21 HG23 ' A' ' 62' ' ' ILE . 15.3 tp -45.73 -59.02 3.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -45.05 -51.61 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.49 -45.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.401 ' CE ' HG23 ' A' ' 72' ' ' ILE . 13.1 mtm -58.61 -55.94 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.8 p -55.53 -28.49 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -34.69 67.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' NE2' ' A' ' 19' ' ' HIS . 95.0 mt -45.33 153.68 0.54 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -43.43 2.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.356 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.705 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.1 p-80 -70.6 -12.0 61.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -116.84 37.43 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -92.39 -33.53 14.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -126.77 174.78 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.99 172.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.447 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 79.8 t80 -97.35 -4.15 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -132.37 -64.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 14.5 p -77.03 2.13 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.6 t70 34.95 51.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -104.86 103.17 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.66 145.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.523 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 91.08 47.98 3.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 54.5 Cg_endo -69.74 114.57 3.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.591 ' HA ' HD12 ' A' ' 62' ' ' ILE . 48.6 p -111.2 28.56 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 32' ' ' THR . 13.5 m-85 -150.72 151.79 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 41' ' ' PHE . 19.3 m -139.76 129.17 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' GLY . 50.4 t-20 -81.25 114.9 20.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 77.6 mmm -73.03 -32.31 65.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.0 m -65.91 -55.4 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -85.44 -30.72 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 85.33 35.83 11.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -116.51 178.19 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 34' ' ' VAL . 18.6 m-85 -110.85 114.23 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' ' 33' ' ' TYR . 27.1 m -120.09 -176.23 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.5 p -110.31 -179.89 3.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -69.05 -27.13 65.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 t -68.83 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' SER . 56.4 m -56.97 -44.33 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.66 ' HA ' HG11 ' A' ' 59' ' ' VAL . 64.7 p -39.84 -44.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.4 -31.95 60.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' CYS . 45.7 m -70.34 -48.84 54.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 10.4 mt -45.12 -46.97 12.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -49.27 -41.07 36.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.75 -38.02 28.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.05 171.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.6 t30 -139.72 121.01 9.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.647 0.737 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.2 Cg_endo -69.82 155.81 93.24 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 -1.819 . . . . 0.0 112.315 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.33 9.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 25.0 m170 -62.16 -178.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -122.76 122.92 39.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.1 m -124.64 153.96 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -152.68 125.64 8.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 64.6 m -53.55 147.9 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 32' ' ' THR . 86.5 mt -84.68 -43.15 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -91.32 -54.14 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.466 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.3 tpt -55.74 -38.8 70.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -116.11 141.75 47.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -145.06 177.83 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' GLN . 4.6 t -129.59 152.67 48.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 31.4 tp60 -36.28 -46.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -51.34 -61.52 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.44 -51.9 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.401 HG23 ' CE ' ' A' ' 14' ' ' MET . 24.1 mm -41.82 -61.21 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' GLN . 12.5 mm-40 -52.35 -59.23 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -39.76 -40.9 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.9 -34.01 64.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 73' ' ' GLU . 32.9 mt-30 -70.28 -41.68 73.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -62.78 -13.84 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.533 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.8 m80 -117.09 -75.38 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.61 159.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.488 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.9 -14.14 14.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' C ' ' CD ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -52.98 -64.82 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.3 m -89.21 -37.0 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.8 m -45.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 36.3 tttt -42.75 -65.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.2 -48.02 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 122' ' ' VAL . 64.4 mt -56.15 -30.08 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.913 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -10.37 36.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.4 mt -116.17 20.98 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.76 -51.63 12.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 45.4 mt -85.99 -39.91 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -38.58 142.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -149.89 106.55 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -42.05 -31.75 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -57.15 11.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -85.25 -71.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -69.07 161.09 29.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -139.85 130.51 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.045 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 99' ' ' PRO . 9.5 mm -52.35 133.49 42.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 54.0 Cg_endo -69.8 -174.52 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -85.83 163.57 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -119.67 38.08 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -127.12 -28.6 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.65 125.77 30.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.417 ' HG2' ' NE2' ' A' ' 105' ' ' GLN . 53.7 Cg_endo -69.82 -27.01 26.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 104' ' ' PRO . 26.2 mp0 -61.77 -48.15 81.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -67.99 -59.12 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG12 HD12 ' A' ' 111' ' ' LEU . 92.2 t -46.45 -42.69 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -57.86 -61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.39 -60.52 2.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CD2' ' HD3' ' A' ' 99' ' ' PRO . 1.4 t80 -51.65 -47.92 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.405 HD12 HG12 ' A' ' 107' ' ' VAL . 13.0 mt -55.83 -50.17 71.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 28.9 mt-30 -56.84 -49.67 74.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -59.21 -13.14 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -113.3 -14.86 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -117.95 -54.51 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' GLN . 18.4 mt-10 -71.91 -59.01 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -74.62 -26.45 59.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 121' ' ' TYR . 26.2 mtpt 57.65 40.72 26.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.9 -67.14 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -85.14 51.58 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.42 ' CG ' ' HE2' ' A' ' 118' ' ' LYS . 24.9 t80 -97.34 127.92 43.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 86' ' ' ILE . 76.5 t -151.73 105.2 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 148.69 65.45 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.698 2.265 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 54.0 Cg_endo -69.76 -35.93 11.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -37.74 -35.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -98.58 -48.54 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -51.46 -57.12 9.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -73.94 92.67 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.2 t -81.36 128.81 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.42 142.94 7.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.33 29.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.3 m -117.48 109.46 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 85.7 p -143.23 131.8 22.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -93.44 164.65 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -57.95 -58.28 9.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.18 -143.19 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 69.48 36.45 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.876 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -107.04 118.82 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.92 -48.95 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.51 -49.59 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -46.19 7.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 49.6 mmm -60.5 -45.51 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.545 ' CD1' HG23 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -40.51 -61.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -42.75 -49.31 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.85 -42.81 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.41 ' CE ' HG23 ' A' ' 72' ' ' ILE . 19.3 mtm -59.78 -49.54 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.438 HG23 HD13 ' A' ' 11' ' ' LEU . 65.0 p -62.12 -14.06 33.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.43 -23.9 49.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.766 HD13 ' NE2' ' A' ' 19' ' ' HIS . 55.7 mt -47.62 151.93 1.37 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.6 Cg_endo -69.83 -17.59 37.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.766 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.5 p-80 -98.08 2.14 48.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -128.29 12.31 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 10.0 mmt85 -66.47 -28.16 68.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -131.75 169.31 16.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -56.67 173.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 9.1 t80 -96.72 -22.14 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -68.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.79 -8.55 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 53.1 40.71 31.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -90.62 135.51 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -69.52 146.51 51.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.37 56.2 3.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 119.59 6.51 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.305 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 71.4 p -111.6 27.89 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -150.64 156.36 41.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -144.14 134.92 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -84.79 115.33 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmt -73.35 -29.07 62.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.1 m -75.42 -57.68 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.208 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -77.49 -30.17 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 34.62 23.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 p -118.55 179.17 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.821 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -108.52 118.26 36.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.732 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.3 m -121.69 -176.2 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.63 179.86 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.667 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.95 -35.65 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -62.83 -67.46 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.6 m -56.82 -54.32 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.675 ' HA ' HG11 ' A' ' 59' ' ' VAL . 90.0 p -37.75 -31.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -78.38 -38.8 24.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' CYS . 5.3 t -70.71 -48.59 53.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.919 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD22 ' ND1' ' A' ' 57' ' ' HIS . 13.2 mt -40.15 -38.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.0 mtm105 -61.82 -48.98 78.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -43.07 -31.03 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 15.4 mt -62.9 174.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 17.2 t30 -143.9 121.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.74 156.98 92.47 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.339 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.472 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.0 m170 -61.69 -175.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -125.98 113.9 17.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -119.29 139.12 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -138.71 121.03 15.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 12.0 m -48.64 154.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG23 ' CD1' ' A' ' 11' ' ' LEU . 74.5 mt -90.11 -32.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -100.98 -51.53 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.432 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 19.6 mtm -59.06 -38.04 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 m -110.74 144.15 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -88.92 -177.4 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -147.62 -176.42 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 71' ' ' GLU . 6.3 t -140.34 162.25 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -48.83 -46.09 41.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -55.52 -62.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' H ' HG23 ' A' ' 68' ' ' THR . 69.7 mm-40 -49.22 -53.15 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' CE ' ' A' ' 14' ' ' MET . 43.7 mm -49.23 -42.65 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -62.97 -51.91 65.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 3.4 t80 -53.75 -48.75 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.2 -47.54 84.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.35 -47.7 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -52.48 -32.16 38.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -99.99 -75.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.82 162.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -63.87 -12.91 40.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.09 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 78' ' ' HIS . 34.4 m -92.98 -36.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 m -45.45 -67.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 tttt -41.52 -65.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLY . 30.1 mt-30 -44.9 -52.12 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -52.46 -27.31 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.883 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -95.85 -14.07 23.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -112.27 3.13 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -37.73 -32.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 90' ' ' LEU . 10.3 mt -111.87 -12.67 13.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.883 0.373 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.497 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 33.2 t80 -87.97 125.45 34.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.17 151.08 39.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.69 -38.04 76.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -69.74 -53.37 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.6 m -62.63 -64.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.2 m -84.69 161.69 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -119.46 126.84 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.39 127.37 91.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.693 0.758 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.5 Cg_endo -69.73 -175.97 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.68 167.85 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -119.92 -37.37 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -49.57 -30.77 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -110.32 119.08 47.84 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.574 0.702 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -36.11 11.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.232 . . . . 0.0 112.356 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -52.19 -48.33 65.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.8 -60.75 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -45.06 -43.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -48.45 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -43.82 -45.63 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.99 -39.89 75.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 116' ' ' GLU . 81.4 mt-30 -59.4 -52.14 66.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -54.48 -14.39 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 115' ' ' TYR . 13.7 ttmt -100.87 -33.85 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 17.7 m-85 -112.47 -55.94 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.5 tm-20 -55.48 -56.22 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.31 -26.58 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' ' CD2' ' A' ' 121' ' ' TYR . 3.5 mtmp? 56.57 54.13 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -64.48 -67.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.497 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.9 m-90 -86.83 49.75 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.537 ' CD2' ' HD2' ' A' ' 118' ' ' LYS . 12.2 t80 -94.36 92.78 7.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.6 t -117.87 101.15 52.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 159.83 51.94 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.426 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.7 Cg_endo -69.77 -21.87 32.85 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.94 -26.36 62.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -128.16 34.02 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -120.6 176.89 5.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -41.74 148.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 t -93.39 123.17 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -136.82 89.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.545 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.06 6.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.716 2.278 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 t -101.17 -46.78 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.0 p -80.36 -1.25 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.515 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -159.8 144.22 14.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -72.13 85.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.13 85.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -93.91 42.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -93.1 145.03 24.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.79 -45.95 2.12 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.93 -51.37 40.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.59 -44.79 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 mmm -68.29 -38.95 82.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD21 HG23 ' A' ' 62' ' ' ILE . 7.0 tt -45.57 -42.96 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -61.76 -48.65 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -42.38 -39.9 2.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 39.1 mtm -65.83 -59.54 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -47.22 -40.22 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.15 -32.35 56.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.537 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.789 HD13 ' NE2' ' A' ' 19' ' ' HIS . 89.8 mt -50.07 153.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -44.74 1.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.789 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.8 p-80 -67.74 -3.62 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.537 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 15.5 m-80 -108.67 -28.14 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ASN . 26.7 mmm180 -36.3 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASN . 12.5 pttp -132.27 168.58 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.86 -179.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 2.3 t80 -100.23 -23.23 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.648 ' CG ' HD21 ' A' ' 111' ' ' LEU . 47.0 m-20 -113.3 -69.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 16.3 p -71.69 -1.32 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 44.52 34.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -73.66 100.84 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.9 mtt-85 -45.92 105.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.89 68.16 0.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.4 50.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.284 . . . . 0.0 112.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.8 p -128.76 12.92 6.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -147.42 167.93 23.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 41' ' ' PHE . 18.4 m -149.78 125.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -78.02 123.0 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' CE2' ' A' ' 74' ' ' PHE . 9.1 mmt -80.59 -29.69 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -72.3 -46.01 57.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.99 -23.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.05 30.85 56.74 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 p -114.93 178.48 4.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 10.5 m-85 -109.61 113.66 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.687 HG11 HD11 ' A' ' 50' ' ' LEU . 24.0 m -117.1 -176.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.0 p -116.68 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 t -54.94 -37.76 66.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.0 t -66.41 -67.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 61.6 m -54.96 -23.67 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.467 ' HA ' HG11 ' A' ' 59' ' ' VAL . 1.3 t -69.85 -53.9 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.5 64.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.3 t -83.11 -42.6 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD11 HG11 ' A' ' 42' ' ' VAL . 12.6 mt -51.92 -37.99 54.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -67.5 -43.08 81.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.84 -35.61 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.839 HD22 ' HG3' ' A' ' 116' ' ' GLU . 49.6 mt -52.86 166.15 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -132.14 119.17 16.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 157.9 91.5 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.376 -0.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 118.82 5.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.72 163.93 26.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -93.67 141.97 27.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -150.05 125.04 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE2' HG21 ' A' ' 65' ' ' THR . 42.6 mtpt -132.54 140.38 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 45.9 m -53.09 168.58 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.636 HG23 HD21 ' A' ' 11' ' ' LEU . 69.1 mt -88.82 -53.91 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.0 p -102.97 -37.15 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.468 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -61.42 -15.96 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE2' ' A' ' 60' ' ' LYS . 94.9 m -118.54 153.12 34.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 65' ' ' THR . 1.1 m -105.14 120.1 40.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.55 -179.47 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' GLN . 1.7 t -139.58 151.43 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' THR . 15.4 tm0? -34.22 -39.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.522 ' CD ' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -54.61 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 52.4 mm-40 -55.76 -55.6 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.529 HG22 ' OE1' ' A' ' 76' ' ' GLN . 33.2 mm -38.56 -46.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.33 -46.31 77.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 36' ' ' MET . 39.1 t80 -56.73 -52.53 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' GLY . 11.1 mt -57.1 -59.42 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 72' ' ' ILE . 72.1 mt-30 -52.07 -53.09 46.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -44.6 -22.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.0 -75.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' LEU . . . 56.09 161.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -55.46 -17.28 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 23.8 tt0 -48.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.98 -32.93 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.94 -68.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 18.9 ttpt -41.37 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -44.45 -50.0 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -52.83 -29.78 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.434 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.5 m95 -92.65 -19.62 21.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 88' ' ' LEU . 5.5 mt -101.88 20.93 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.67 -47.93 17.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.469 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.34 -25.65 16.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.85 111.63 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -115.73 136.4 53.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -38.85 -45.62 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 95' ' ' SER . 3.3 mmp_? -75.13 -53.1 9.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 94' ' ' ARG . 54.1 m -38.25 -70.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 t -114.99 -175.83 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -134.82 131.86 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 34.6 mm -57.45 127.96 78.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.593 0.711 . . . . 0.0 111.177 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.3 Cg_endo -69.74 172.62 12.29 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.96 158.57 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 8.0 m-85 -113.91 40.13 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -125.73 -38.1 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.26 127.86 40.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.41 25.5 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -61.14 -52.17 66.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.03 -54.63 35.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -55.22 -36.96 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -66.6 -53.16 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -59.95 -47.32 86.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.569 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.7 t80 -61.6 -44.91 96.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.648 HD21 ' CG ' ' A' ' 25' ' ' ASP . 12.6 mt -58.8 -45.16 90.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 116' ' ' GLU . 59.6 mt-30 -59.73 -52.6 64.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 78.9 mm-40 -57.64 -13.0 3.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 62.6 tttt -92.69 -36.71 12.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -118.36 -55.08 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.839 ' HG3' HD22 ' A' ' 53' ' ' LEU . 6.3 mt-10 -52.66 -37.19 58.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 27.2 mmtp -111.1 -23.49 10.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.8 mttm 54.83 51.71 13.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -58.46 -70.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.3 m-90 -85.58 38.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.76 110.32 16.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.27 105.0 9.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.68 0.752 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 151.06 69.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 124' ' ' PRO . 78.0 mm-40 -34.63 -32.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 124' ' ' PRO . 21.0 tt0 -100.9 -43.46 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -58.42 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -92.77 81.19 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.7 t -60.02 79.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 128' ' ' LYS . . . -118.54 151.88 17.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 0.0 112.315 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m -132.17 132.24 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 m -94.38 93.08 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.47 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -72.8 149.5 43.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t 57.48 42.19 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.51 -158.24 13.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -94.75 42.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.9 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -105.92 148.05 28.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.77 -48.74 4.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.26 -52.73 60.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -43.21 -49.03 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.528 ' HB2' HG21 ' A' ' 72' ' ' ILE . 8.9 mtt -71.94 -45.93 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -35.16 -47.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' ASP . 19.5 ttp180 -61.07 -48.8 80.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' MET . 22.2 t70 -36.63 -41.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.838 ' HE1' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -66.73 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -47.06 -40.93 15.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.68 -38.69 53.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.982 HD13 ' NE2' ' A' ' 19' ' ' HIS . 88.9 mt -48.93 151.46 2.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -37.44 9.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.982 ' NE2' HD13 ' A' ' 17' ' ' LEU . 3.0 p-80 -69.91 -14.09 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 8.1 m-80 -93.28 -37.68 11.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ASN . 30.4 mmm180 -37.86 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ASN . 22.4 mmtm -117.61 156.85 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 -179.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -99.17 -39.76 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.64 -70.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 14.3 p -72.51 -3.02 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 45.64 36.55 2.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 tp-100 -80.04 130.94 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -69.86 111.71 5.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.94 65.78 0.5 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 135.98 31.71 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.472 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 9.8 p -122.98 20.38 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 44' ' ' THR . 15.8 m-85 -150.64 164.94 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.0 133.46 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -82.25 113.82 20.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.8 m -81.62 -51.43 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.7 t -87.04 -30.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 28.3 28.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -107.87 177.41 4.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 13.0 m-85 -109.45 103.45 12.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG23 ' HB3' ' A' ' 33' ' ' TYR . 16.0 m -106.94 176.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.75 175.73 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 14.1 t -55.41 -39.79 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 44' ' ' THR . 73.8 m -63.03 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' SER . 72.6 m -51.01 -52.83 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.568 ' HA ' HG11 ' A' ' 59' ' ' VAL . 99.0 p -40.75 -31.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.4 -37.58 35.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' CYS . 12.7 t -68.63 -49.78 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.1 mt -44.57 -46.52 10.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -52.7 -43.09 65.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.83 -34.42 29.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 32.9 mt -55.07 171.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.353 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 5.6 t30 -144.62 119.14 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.76 154.95 93.45 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 127.14 14.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -68.25 -179.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.58 113.98 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.9 OUTLIER -115.69 143.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -140.45 126.12 19.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.477 ' OG ' ' CZ ' ' A' ' 33' ' ' TYR . 58.5 m -51.06 154.08 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 11' ' ' LEU . 87.2 mt -86.45 -39.86 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.6 p -97.79 -49.13 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 21.1 ttp -61.8 -40.47 95.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -111.5 143.25 42.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.5 p -98.3 -176.39 3.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -148.55 172.5 14.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -118.9 162.35 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -46.32 -59.72 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.7 pt20 -45.44 -32.71 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 71.8 mt-10 -81.1 -62.9 1.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.838 HG23 ' HE1' ' A' ' 14' ' ' MET . 25.2 mm -36.37 -66.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -44.3 -59.21 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t80 -42.4 -48.4 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.68 -34.53 77.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -66.39 -52.6 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.591 ' HE3' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -56.48 -13.03 2.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.591 ' CE1' ' HE3' ' A' ' 77' ' ' LYS . 26.2 m80 -102.78 -75.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.86 161.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -70.6 -6.95 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -58.7 -61.1 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 78' ' ' HIS . 27.8 m -92.52 -35.93 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.0 m -46.85 -68.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.4 ttpp -42.18 -65.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -45.07 -48.98 11.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 mt -54.01 -32.25 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.831 ' C ' HD23 ' A' ' 88' ' ' LEU . 97.7 m95 -90.39 -14.97 31.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.831 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -110.12 20.25 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.75 17.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.86 -35.39 12.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.956 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.5 t80 -45.94 131.97 9.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -138.57 152.63 48.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.7 48.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -130.95 -32.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.6 p -117.82 -44.03 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 m -77.78 166.36 23.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -133.26 146.36 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.5 mp -86.57 129.28 53.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD3' ' CD2' ' A' ' 110' ' ' PHE . 53.4 Cg_endo -69.73 -176.67 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.296 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.55 149.92 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.5 40.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -124.64 -13.45 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.98 126.5 23.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -22.66 31.81 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -68.82 -44.27 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -72.2 -53.73 11.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 64.2 t -51.56 -43.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -55.36 -52.32 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.28 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.9 t80 -46.69 -45.35 19.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 111' ' ' LEU . 12.3 mt -59.62 -40.6 88.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 48.1 mt-30 -58.74 -37.25 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -64.77 -16.8 63.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -104.9 -22.75 13.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -106.85 -54.84 2.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 6.5 mt-10 -71.88 -55.5 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -81.79 -27.8 33.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 65.9 mttt 49.57 38.14 14.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.8 ptm180 -55.75 -49.82 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 3.2 m-90 -91.16 26.78 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.412 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 24.7 t80 -80.52 123.02 27.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.23 105.01 3.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 148.63 65.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.312 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.5 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.96 -26.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 124' ' ' PRO . 2.1 tp-100 -105.23 -37.83 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.91 155.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -88.29 42.71 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 t -66.8 -49.5 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 174.57 -84.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.434 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.95 20.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.2 t -147.01 136.62 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.0 t -97.22 -44.78 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.521 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -118.98 176.98 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.933 0.397 . . . . 0.0 110.829 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -145.07 117.27 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.97 -44.3 14.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.999 ' HB3' HD13 ' A' ' 8' ' ' LEU . 58.9 m -152.18 131.48 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -61.88 138.97 58.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.59 -56.23 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 5' ' ' SER . 4.8 mp -43.27 -46.5 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 8' ' ' LEU . 19.3 tttp -36.21 -39.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' LEU . 10.1 mtp -77.93 -41.44 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.2 tp -37.7 -46.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -60.77 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -40.6 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.811 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.544 ' CE ' HG23 ' A' ' 72' ' ' ILE . 1.9 mpp? -72.01 -50.73 26.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.7 p -54.68 -16.09 2.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.36 -40.56 8.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD13 ' NE2' ' A' ' 19' ' ' HIS . 84.7 mt -41.3 154.04 0.24 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.66 6.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.832 ' NE2' HD13 ' A' ' 17' ' ' LEU . 10.0 p-80 -72.87 -3.92 28.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -124.6 36.45 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -93.6 -33.32 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -124.95 172.39 9.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.7 t -59.33 172.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -98.59 -22.52 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.15 -61.25 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.9 p -88.67 5.82 41.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 28.2 m-20 40.16 38.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -82.73 124.36 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -62.92 131.37 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 58.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.97 16.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 62.0 p -118.08 26.22 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.682 ' CE1' HG23 ' A' ' 44' ' ' THR . 16.9 m-85 -150.37 164.05 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 m -150.26 123.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.32 113.1 11.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.8 mmt -72.99 -26.64 61.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 m -73.57 -57.2 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -81.53 -28.54 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.65 31.55 29.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 p -111.83 -179.33 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.26 113.85 26.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 50' ' ' LEU . 28.5 m -121.18 -179.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -113.58 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.682 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.25 -53.56 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.2 t -45.97 -55.46 6.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.9 m -68.92 -27.02 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 p -49.41 -34.72 17.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 51' ' ' ARG . . . -83.32 -30.21 31.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -69.84 -41.34 75.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD11 HG11 ' A' ' 42' ' ' VAL . 21.1 mt -65.73 -46.24 79.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' CD ' ' HA2' ' A' ' 48' ' ' GLY . 22.9 ptt180 -68.9 -14.75 63.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.47 -28.21 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.54 -176.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.9 t30 -144.46 119.92 6.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.5 Cg_endo -69.73 156.76 92.56 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.387 -0.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.24 18.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -71.13 -176.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -122.21 112.39 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.51 136.32 52.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -135.82 125.11 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 70.8 m -49.21 154.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.43 -32.75 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.1 t -102.81 -50.59 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.41 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 33.2 mtt -60.99 -42.42 98.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -108.08 137.06 46.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.58 ' OG1' HD11 ' A' ' 8' ' ' LEU . 7.5 t -91.53 174.57 7.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -138.14 -175.8 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' GLN . 3.6 t -133.04 156.8 46.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' THR . 29.3 tp60 -35.83 -58.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -43.69 -67.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -46.74 -53.31 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.544 HG23 ' CE ' ' A' ' 14' ' ' MET . 45.9 mm -42.98 -56.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -58.79 -47.2 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 5.2 t80 -51.35 -37.61 48.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.25 -63.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 36.5 mt-30 -48.03 -46.72 33.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -47.76 -33.97 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 82' ' ' VAL . 48.0 m80 -104.93 -74.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 162.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.8 OUTLIER -59.26 -14.62 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -50.96 -63.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.8 m -93.32 -39.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' N ' HG23 ' A' ' 82' ' ' VAL . 3.5 m -41.51 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.3 tttm -39.78 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -44.45 -50.78 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.2 mt -52.04 -29.14 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.888 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.58 -14.0 25.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.888 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -114.03 18.41 17.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.96 -50.82 7.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.6 mt -84.52 -43.55 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' LEU . 3.6 t80 -34.82 130.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.58 108.97 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.54 -38.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -40.14 -51.38 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -109.87 -62.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -54.76 162.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -144.57 151.24 38.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 1.2 mp -89.35 130.12 45.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.06 158.79 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.7 m-85 -111.31 -26.38 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.4 -25.25 9.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.22 115.14 40.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.3 11.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -88.05 -41.73 12.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -72.84 -30.19 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.0 -43.01 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.2 tttt -59.35 -57.24 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.7 pt-20 -49.66 -38.23 31.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.511 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -71.87 -45.72 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.7 mt -53.15 -32.95 50.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.5 mt-30 -65.58 -41.43 92.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.16 -14.66 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 88' ' ' LEU . 23.8 ttmt -106.72 -26.09 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -105.7 -53.39 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' GLN . 5.4 mt-10 -71.18 -59.09 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -78.47 -22.66 47.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 61.2 mttt 52.07 28.15 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 118' ' ' LYS . 7.5 ttt85 -35.42 -66.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -95.8 56.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.545 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 11.8 t80 -97.76 99.31 10.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.3 t -124.32 99.91 36.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 157.82 59.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.733 2.288 . . . . 0.0 112.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.6 Cg_endo -69.79 -40.95 4.67 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.5 pt-20 -37.3 -32.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 124' ' ' PRO . 71.1 mt-30 -98.41 -43.54 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -55.04 89.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -146.23 170.97 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -49.74 111.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.06 176.8 45.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 178.27 4.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -56.17 -46.67 79.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -96.11 152.52 18.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.453 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -110.75 157.99 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -128.12 99.21 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.96 -48.16 5.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -61.47 154.04 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -129.53 -43.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 -18.47 8.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 8' ' ' LEU . 1.6 mm? -72.81 -33.62 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -40.94 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.474 ' CB ' HG21 ' A' ' 72' ' ' ILE . 3.5 mmt -74.74 -27.16 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.57 -40.1 96.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -63.85 -43.1 97.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -48.29 -37.53 16.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.7 mtm -71.83 -55.62 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.6 p -45.7 -29.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -67.03 -44.94 87.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD13 ' NE2' ' A' ' 19' ' ' HIS . 67.8 mt -37.54 144.06 0.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -30.04 23.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.91 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.4 p-80 -78.37 4.58 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' LYS . 37.4 m-20 -125.87 -24.28 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 5.2 mmm180 -33.6 -35.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -122.12 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.25 177.27 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HE2' ' A' ' 84' ' ' LYS . 22.4 t80 -106.83 -17.23 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -58.78 1.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 24.5 p -94.42 12.46 27.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.0 t70 40.16 25.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tp-100 -67.55 130.07 41.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 120.02 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.24 63.91 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.52 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.77 52.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -133.23 20.75 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.717 ' HB3' HG23 ' A' ' 42' ' ' VAL . 21.9 m-85 -150.82 163.92 37.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.66 126.24 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -76.46 109.64 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -68.46 -27.45 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -75.44 -61.03 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.436 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 17.0 t -75.52 -27.24 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 32.13 36.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 171.54 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -98.82 117.95 34.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.717 HG23 ' HB3' ' A' ' 33' ' ' TYR . 15.3 m -119.29 -176.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.0 p -119.87 179.61 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.496 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 11.2 t -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 t -71.55 -36.51 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.3 m -84.34 -34.1 23.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.603 ' HA ' HG11 ' A' ' 59' ' ' VAL . 71.0 p -50.45 -39.42 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 -35.08 37.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -66.95 -54.71 19.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD11 HG11 ' A' ' 42' ' ' VAL . 32.6 mt -41.97 -48.79 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -54.06 -37.67 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.76 35.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.63 178.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 39.2 t30 -148.47 121.45 4.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.75 154.13 93.15 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.34 -0.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.66 9.33 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -67.48 167.34 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -101.11 114.85 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.603 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -115.17 148.09 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -150.62 146.79 26.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 65' ' ' THR . 9.7 p -64.48 170.47 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.5 mt -92.65 -51.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.9 m -100.54 -43.56 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.502 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -54.67 -14.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.883 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 61' ' ' SER . 1.3 t -133.02 142.18 48.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -99.52 130.99 45.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 65' ' ' THR . 81.6 m-85 -105.56 148.49 27.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 t -92.73 166.07 12.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -39.79 -67.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -44.44 -52.9 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -52.72 -45.23 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 10' ' ' MET . 30.0 mm -63.68 -60.59 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.28 -54.63 10.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -44.85 -50.06 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.3 -62.55 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -47.14 -54.0 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -45.91 -28.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.1 m80 -106.29 -75.22 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.81 163.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.34 -18.57 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.63 -64.13 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 78' ' ' HIS . 33.8 m -92.6 -39.64 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.3 m -41.79 -66.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 24' ' ' PHE . 10.9 ttmm -42.6 -66.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -44.79 -45.75 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 122' ' ' VAL . 82.7 mt -57.46 -30.62 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.808 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -93.24 -8.77 41.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.808 HD23 ' C ' ' A' ' 87' ' ' TRP . 2.3 mt -113.36 11.51 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -34.38 -56.23 0.74 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.546 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 mt -78.3 -46.61 19.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.91 36.12 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t70 39.3 44.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -112.54 -33.39 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.0 p -125.74 -61.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.5 t -82.3 153.32 25.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -125.19 158.92 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.497 HG23 ' HD2' ' A' ' 99' ' ' PRO . 37.6 mm -62.18 134.44 94.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.75 -165.78 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.09 148.41 27.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 3.5 m-85 -98.8 -42.12 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -38.99 -28.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' PHE . 45.2 m-20 -121.87 137.94 27.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -43.77 -49.65 7.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -56.37 -50.96 70.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.87 -33.11 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -69.97 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -40.98 -34.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.9 t80 -84.94 -46.04 11.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 115' ' ' TYR . 13.4 mt -55.37 -26.71 42.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 116' ' ' GLU . 64.3 mt-30 -72.05 -46.39 57.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -66.98 -11.95 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -106.5 -19.0 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.732 ' CE2' HD22 ' A' ' 111' ' ' LEU . 15.5 m-85 -117.44 -51.1 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.4 mm-40 -72.92 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -79.19 -28.35 42.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt 55.9 38.56 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -47.61 -66.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -83.62 57.02 3.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -103.57 122.83 45.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 86' ' ' ILE . 47.3 t -148.69 105.12 3.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 147.97 63.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.256 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.3 Cg_endo -69.8 -31.52 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 124' ' ' PRO . 54.5 mm-40 -37.44 -28.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.495 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.2 OUTLIER -104.03 -47.03 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.11 -58.25 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 129' ' ' SER . 0.1 OUTLIER -102.72 147.92 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.462 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 2.9 t -34.96 -52.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.99 81.14 0.72 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -15.28 37.09 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.0 m -154.57 171.21 19.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -75.72 153.92 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.091 -0.839 . . . . 0.0 112.502 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -105.79 168.17 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -88.41 123.9 33.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.74 3.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -134.76 172.1 13.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -51.25 -52.7 42.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.88 -50.21 59.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.867 HD21 HG23 ' A' ' 66' ' ' THR . 3.6 mm? -43.3 -45.93 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' MET . 25.5 tptt -72.68 -47.97 42.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.66 ' SD ' HG21 ' A' ' 72' ' ' ILE . 21.9 mtp -35.94 -53.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.633 HD22 HG23 ' A' ' 62' ' ' ILE . 12.7 mt -36.39 -49.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -47.92 -44.43 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' MET . 8.8 t70 -56.72 -45.15 82.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.2 mtm -59.89 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.4 p -44.96 -38.17 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -55.66 -45.33 85.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.887 HD13 ' NE2' ' A' ' 19' ' ' HIS . 82.3 mt -37.91 150.1 0.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -41.39 4.27 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.887 ' NE2' HD13 ' A' ' 17' ' ' LEU . 5.3 p-80 -67.43 -4.31 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' LYS . 25.3 m-20 -114.08 -20.18 11.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -43.32 -23.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -138.16 154.86 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.57 179.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD2' ' NZ ' ' A' ' 84' ' ' LYS . 13.8 t80 -96.75 -36.68 10.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.89 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -98.02 -70.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.87 -0.79 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 46.11 29.61 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -64.75 119.68 11.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -64.55 87.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.37 71.19 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.88 48.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.686 HG23 ' HD1' ' A' ' 33' ' ' TYR . 2.8 t -133.47 17.41 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.686 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.3 m-85 -151.04 170.92 18.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 60' ' ' LYS . 14.6 m -140.76 135.56 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.533 ' ND2' HD13 ' A' ' 50' ' ' LEU . 18.9 t-20 -92.35 63.19 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . 3.5 mmt -34.23 -32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' ASN . 23.9 m -56.6 -51.79 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.101 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG1' ' HE1' ' A' ' 87' ' ' TRP . 45.5 t -93.21 -40.59 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.89 23.96 6.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -113.3 -178.95 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.26 119.3 39.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' TYR . 27.1 m -118.35 175.76 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.8 p -112.62 -179.19 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -60.51 -43.4 97.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.3 m -57.84 -67.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 49' ' ' SER . 78.0 m -49.79 -54.12 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.6 ' HA ' HG11 ' A' ' 59' ' ' VAL . 24.6 p -34.78 -32.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -76.78 -43.57 17.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 46' ' ' CYS . 11.9 t -59.66 -59.01 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.533 HD13 ' ND2' ' A' ' 35' ' ' ASN . 31.1 mt -46.9 -45.72 20.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -55.71 -31.18 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.9 -28.33 72.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 45.1 mt -60.62 168.89 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.433 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 32.5 t30 -137.46 121.21 11.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.74 154.22 93.16 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.318 -0.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 128.12 15.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.618 2.212 . . . . 0.0 112.321 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -70.8 -176.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -122.97 114.73 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.0 m -118.16 152.66 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' ' CE2' ' A' ' 67' ' ' PHE . 1.1 ptpp? -156.64 145.96 20.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 68.3 m -62.02 160.72 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.633 HG23 HD22 ' A' ' 11' ' ' LEU . 36.3 mt -91.57 -40.78 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -104.04 -32.09 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 26.2 mtp -81.69 15.56 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.4 m -154.2 133.73 12.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.867 HG23 HD21 ' A' ' 8' ' ' LEU . 36.0 m -83.45 145.33 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 11' ' ' LEU . 33.1 m-85 -123.68 163.93 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 168.7 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -57.69 -54.69 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -52.61 -38.43 60.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.85 -58.07 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.66 HG21 ' SD ' ' A' ' 10' ' ' MET . 24.7 mm -42.43 -49.87 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -57.93 -55.24 37.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 t80 -44.72 -36.69 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.7 -63.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -47.27 -53.59 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -41.97 -36.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 82' ' ' VAL . 56.9 m80 -104.02 -75.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.58 161.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.94 -16.99 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.325 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.02 -65.92 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 78' ' ' HIS . 23.2 m -89.33 -35.73 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.84 -68.12 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' NZ ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -43.46 -65.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -44.95 -44.86 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.974 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.8 mt -59.86 -29.74 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.85 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.7 m95 -92.64 -11.81 33.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.85 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.2 mt -111.54 20.61 17.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.6 -38.63 28.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.16 16.77 18.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.414 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 13.7 t80 -112.09 117.51 32.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.56 134.26 55.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.0 -35.09 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.1 ptt-85 -75.48 -32.39 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -74.52 -70.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.6 m -96.63 161.32 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.2 153.56 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.583 HG23 ' HD2' ' A' ' 99' ' ' PRO . 37.8 mm -87.01 136.89 33.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 98' ' ' ILE . 54.0 Cg_endo -69.77 -171.34 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 166.31 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.14 -36.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -51.48 -34.03 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -105.67 125.82 32.35 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -42.9 3.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -47.1 -55.0 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -53.34 -56.63 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.441 HG12 HD12 ' A' ' 111' ' ' LEU . 97.7 t -50.41 -55.66 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -38.45 -51.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.55 -65.16 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.536 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 2.9 t80 -45.3 -41.01 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.89 HD21 ' OD1' ' A' ' 25' ' ' ASP . 16.7 mt -61.77 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 44.2 mt-30 -58.14 -58.15 9.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -56.54 -13.17 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -95.51 -34.18 12.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -118.01 -55.94 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -53.68 -39.93 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -106.55 -28.05 10.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp 59.57 48.12 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -56.07 -72.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 1.5 m-90 -84.54 48.23 1.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -93.55 124.48 37.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.7 t -151.36 105.01 2.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.734 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.67 68.6 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.4 Cg_endo -69.73 -45.8 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.4 pt-20 -35.1 -36.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -98.34 -53.59 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -42.63 -51.91 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -132.47 171.64 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 m -108.78 117.38 34.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 152.38 67.46 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -16.93 37.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 97.3 p 42.81 42.71 3.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.2 m -113.67 116.59 29.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.821 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.486 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -141.54 121.77 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.805 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 p -146.29 149.37 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.88 -90.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 m -160.1 139.25 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -84.84 134.73 34.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.62 -48.29 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 -52.39 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -41.95 -57.15 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ASP . 14.8 mtt -65.03 -39.24 93.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.859 HD11 HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -36.1 -57.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -61.65 -39.08 90.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' MET . 4.4 t70 -45.52 -50.41 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.465 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 3.0 mpp? -58.48 -59.77 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.8 p -48.02 -38.0 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.83 64.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.987 HD13 ' NE2' ' A' ' 19' ' ' HIS . 77.6 mt -48.3 150.83 2.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.78 -36.19 11.19 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.987 ' NE2' HD13 ' A' ' 17' ' ' LEU . 6.5 p-80 -75.34 -10.88 59.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 41' ' ' PHE . 11.4 m-80 -97.93 -29.94 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 55.8 mmm-85 -36.98 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -130.4 161.79 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.57 179.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -98.48 -31.39 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.79 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' GLN . 27.9 p -84.09 7.08 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.504 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER 40.52 25.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.1 tp-100 -59.6 119.05 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -65.46 78.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.38 70.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.98 52.71 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 p -133.85 15.17 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' HB3' HG23 ' A' ' 42' ' ' VAL . 12.0 m-85 -151.11 167.6 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 60' ' ' LYS . 13.4 m -137.56 143.87 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' ND2' HG23 ' A' ' 38' ' ' VAL . 48.6 t30 -103.53 90.23 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.2 mmt -48.17 -46.32 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -49.62 -37.97 30.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' ND2' ' A' ' 35' ' ' ASN . 5.0 t -118.85 19.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.4 34.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 92.6 p -105.67 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 21.6 m-85 -116.95 110.22 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG11 HD11 ' A' ' 50' ' ' LEU . 27.0 m -111.91 -175.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.0 p -119.11 178.92 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -53.89 -48.94 69.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.7 t -59.18 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' SER . 85.1 m -52.42 -59.06 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.625 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.6 p -34.91 -47.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.76 -35.76 58.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' CYS . 64.0 m -61.45 -46.15 91.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD11 HG11 ' A' ' 42' ' ' VAL . 17.0 mt -53.75 -31.62 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -57.53 -49.57 75.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.53 -33.68 12.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 75.7 mt -55.55 166.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 63.1 t-20 -137.94 119.99 10.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.66 0.743 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.72 156.52 92.63 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.345 -0.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 116.55 4.62 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.23 -178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -122.0 130.41 53.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.3 OUTLIER -132.58 150.09 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.701 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.4 ptmt -148.75 122.44 9.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 1.6 t -43.63 158.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.859 HG23 HD11 ' A' ' 11' ' ' LEU . 77.3 mt -90.95 -34.49 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.2 m -103.69 -49.13 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.478 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 3.0 mtt -57.17 -35.85 70.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.514 HG21 ' HE3' ' A' ' 60' ' ' LYS . 8.1 m -108.04 136.75 47.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -84.57 151.09 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 4.5 m-85 -122.91 162.45 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -123.85 156.33 36.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' THR . 55.9 tp60 -36.42 -61.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -38.82 -61.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.65 -49.4 65.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.7 mm -44.96 -53.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.22 -38.28 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -62.29 -45.88 91.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.84 -57.49 8.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.465 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 21.2 mt-30 -54.63 -44.19 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.16 -34.45 45.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 82' ' ' VAL . 33.1 m80 -98.86 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.66 159.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -66.42 -8.22 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.42 -62.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 78' ' ' HIS . 22.4 m -89.71 -37.29 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.4 m -46.47 -68.15 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.6 ttpt -43.55 -64.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -45.08 -46.56 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.42 -29.01 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.907 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.0 m95 -93.19 -12.68 29.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -112.94 18.82 17.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.69 -31.54 9.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 90' ' ' LEU . 12.7 mt -107.69 -34.09 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.13 144.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -157.81 113.54 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -50.59 -32.59 19.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -37.03 -47.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' SER . 58.7 m -121.77 -67.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' SER . 67.6 m -35.76 138.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.81 164.73 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 99' ' ' PRO . 28.5 mm -115.62 138.59 23.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.76 -165.75 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.357 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.73 124.61 47.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 1.4 m-85 -74.6 -0.79 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 1.8 mpt_? -95.76 21.85 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.4 129.12 3.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.31 31.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -76.95 -37.89 54.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -76.68 -38.73 53.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 101' ' ' PHE . 77.2 t -74.91 -46.31 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -64.51 -54.2 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -52.49 -38.96 60.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.519 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.8 t80 -74.69 -43.79 53.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.59 -34.52 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 116' ' ' GLU . 41.2 mt-30 -66.03 -40.88 91.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -59.73 -14.75 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -110.76 -23.38 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -105.26 -52.66 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' GLN . 12.2 mm-40 -76.4 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -21.04 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt 46.28 37.29 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -45.83 -69.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' TRP . 1.2 m-90 -88.02 58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.67 113.18 26.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.4 t -136.73 108.47 9.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.01 66.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -44.06 2.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -53.66 -16.13 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.413 ' C ' ' CD ' ' A' ' 126' ' ' GLN . 0.1 OUTLIER -112.02 -45.47 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.84 -42.12 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -158.29 169.55 24.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.1 m -64.75 91.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.52 -95.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.0 m -122.99 42.66 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.5 p -171.4 160.79 6.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.461 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 m 47.25 48.53 16.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -55.56 120.53 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.35 -170.72 34.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m 44.39 31.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -63.91 131.68 48.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 -57.94 4.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 66' ' ' THR . 3.7 mm? -53.56 -48.4 69.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.926 0.393 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -61.36 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' ASP . 63.6 mmm -59.74 -42.75 93.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -38.05 -47.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -58.61 -42.17 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' MET . 10.8 t70 -45.15 -52.42 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.582 ' HE1' HD12 ' A' ' 72' ' ' ILE . 2.1 mpp? -57.16 -65.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.6 p -44.99 -30.49 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.14 -49.76 75.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD13 ' NE2' ' A' ' 19' ' ' HIS . 15.2 mt -40.62 149.76 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.69 10.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -72.13 1.38 7.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . 42.2 m-20 -114.28 -33.61 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -37.24 -30.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ASN . 79.0 mttt -122.01 178.68 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 1.8 t -71.49 174.92 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 3.9 t80 -105.05 -22.45 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.863 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -102.31 -62.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.9 p -93.66 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 38.4 m-20 49.31 26.08 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.34 148.75 18.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -90.38 98.62 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.37 68.09 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 137.96 36.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.7 p -130.4 19.06 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 44' ' ' THR . 13.5 m-85 -146.92 170.03 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.507 ' CG2' ' HG2' ' A' ' 60' ' ' LYS . 16.0 m -146.84 129.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.648 ' ND2' HG23 ' A' ' 38' ' ' VAL . 49.1 t30 -86.25 87.36 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.3 mmt -45.46 -48.13 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.0 m -50.32 -34.69 24.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG23 ' ND2' ' A' ' 35' ' ' ASN . 2.5 t -120.34 19.09 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 35.14 35.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 87.8 p -104.18 179.93 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 9.1 m-85 -117.6 108.53 15.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 50' ' ' LEU . 29.9 m -112.64 -177.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.4 p -113.67 176.04 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.53 ' HA ' ' CD1' ' A' ' 33' ' ' TYR . 3.6 m -61.97 -31.7 72.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.4 m -68.44 -39.61 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -76.0 -36.23 59.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.6 p -44.29 -35.9 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.37 -34.98 30.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -69.0 -56.52 7.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD11 HG11 ' A' ' 42' ' ' VAL . 26.1 mt -47.74 -49.34 28.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -58.63 -36.59 74.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.43 -28.17 59.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 38.5 mt -63.68 171.56 2.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 28.3 t30 -137.96 121.22 11.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 53.7 Cg_endo -69.73 157.85 91.53 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.746 -1.772 . . . . 0.0 112.336 -0.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -62.59 -176.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -119.58 125.83 49.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 154.26 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' HD3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -154.76 136.72 14.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -55.52 147.14 18.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.519 ' CG2' HD11 ' A' ' 11' ' ' LEU . 70.4 mt -82.83 -38.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.165 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.3 t -99.53 -49.55 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 ttt -56.38 -37.66 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -107.78 131.07 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.442 ' CG2' HD21 ' A' ' 8' ' ' LEU . 1.3 m -82.87 149.2 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 60' ' ' LYS . 2.3 m-85 -116.3 166.14 12.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLN . 0.2 OUTLIER -128.44 149.79 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' THR . 13.7 tm0? -34.42 -47.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -50.87 -63.46 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 68' ' ' THR . 43.2 mt-10 -57.44 -44.42 84.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.887 HG22 ' NE2' ' A' ' 76' ' ' GLN . 38.7 mm -47.43 -52.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -51.9 -45.0 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -55.75 -56.5 19.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.4 -60.5 3.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.887 ' NE2' HG22 ' A' ' 72' ' ' ILE . 36.0 mt-30 -50.88 -44.39 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.32 -33.77 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.0 m80 -102.44 -75.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.82 158.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.42 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.6 OUTLIER -65.04 -9.64 23.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 37.7 tt0 -55.22 -65.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 83' ' ' CYS . 34.9 m -88.78 -41.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 82' ' ' VAL . 2.1 m -42.16 -68.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.5 ttpp -41.03 -66.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.7 -48.34 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 122' ' ' VAL . 59.4 mt -54.9 -30.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.879 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 m95 -92.91 -15.71 26.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.879 HD23 ' C ' ' A' ' 87' ' ' TRP . 0.8 OUTLIER -110.76 24.16 13.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -53.55 -48.72 59.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 92' ' ' ASP . 20.2 mt -86.62 -34.98 19.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.347 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.403 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 25.8 t80 -62.05 78.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 90' ' ' LEU . 4.6 t70 -110.02 36.42 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 71.18 46.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -76.3 53.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 m 58.74 35.3 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -93.96 -179.84 5.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -131.44 119.85 22.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 8.0 mm -76.84 132.22 71.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.8 Cg_endo -69.84 155.6 65.24 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.95 176.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.75 37.19 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -127.07 -36.15 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -100.99 130.66 24.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -26.94 27.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -64.89 -46.9 79.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -65.54 -47.1 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.4 -41.51 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -62.91 -59.85 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -48.46 -41.96 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 t80 -69.8 -43.68 71.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 25' ' ' ASP . 13.7 mt -58.76 -33.19 70.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 49.5 mt-30 -63.46 -38.21 90.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.971 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.01 -13.04 62.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' NZ ' HD23 ' A' ' 111' ' ' LEU . 2.9 ttpm? -113.66 -11.14 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.01 -50.41 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLN . 9.4 mt-10 -81.89 -58.84 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -71.5 -26.52 62.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 55.59 39.61 30.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -50.8 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 2.6 m-90 -88.04 51.5 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.45 122.87 37.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 86' ' ' ILE . 90.2 t -149.83 105.23 3.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.74 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.7 66.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.2 Cg_endo -69.74 -36.77 10.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.388 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 124' ' ' PRO . 17.0 mt-10 -35.37 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 124' ' ' PRO . 6.0 tp-100 -101.84 -44.0 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -49.96 -45.52 51.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -115.48 118.87 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.5 m -43.49 113.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 113.57 108.92 2.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 168.82 20.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.384 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.9 t -86.45 82.23 8.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.8 p -71.89 83.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.497 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -86.23 123.9 32.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -112.35 119.4 38.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.31 -82.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 t -91.08 98.59 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -114.03 138.54 50.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.25 -44.09 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 66' ' ' THR . 2.9 mm? -61.99 -55.51 28.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.857 0.36 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -49.76 -35.95 24.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 83.8 mtp -76.07 -27.69 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 62' ' ' ILE . 2.5 tm? -60.92 -62.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -46.9 -37.1 8.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.23 -35.98 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.437 ' CE ' HG23 ' A' ' 72' ' ' ILE . 20.6 mtm -65.98 -57.54 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 p -55.89 -25.94 44.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -33.22 86.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD12 HD22 ' A' ' 20' ' ' ASN . 27.9 mt -47.75 153.14 1.14 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.616 0.722 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -44.3 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.752 2.301 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -72.29 1.05 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.521 HD22 HD12 ' A' ' 17' ' ' LEU . 87.1 m-20 -127.21 39.04 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.19 -21.34 14.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -127.99 163.33 24.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.9 t -57.64 175.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -102.75 -22.21 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.753 ' OD1' HD21 ' A' ' 111' ' ' LEU . 5.7 m-20 -108.17 -66.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASP . 15.1 p -84.97 9.92 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' CYS . 6.3 t0 35.47 38.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 28.3 tt0 -76.35 145.18 39.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -80.59 110.72 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.52 66.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 134.97 29.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.309 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 57.1 p -128.83 25.26 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.469 ' HB3' HG23 ' A' ' 42' ' ' VAL . 11.7 m-85 -150.91 158.69 44.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.72 124.53 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' GLY . 12.8 t-20 -83.67 109.73 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mmt -65.12 -36.27 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 m -66.14 -37.39 85.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -110.4 13.53 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 34.46 36.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 38' ' ' VAL . 65.7 p -110.56 177.43 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.846 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.39 113.23 25.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 33' ' ' TYR . 19.3 m -123.35 -175.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.3 p -118.16 -177.98 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -62.67 -61.01 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -38.64 -51.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 58.7 m -71.31 -46.06 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.63 ' HA ' HG11 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -47.94 -40.28 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.72 -32.63 66.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.0 p -76.81 -37.9 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.385 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.42 -35.06 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -65.59 -11.69 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.72 -38.49 23.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 72.5 mt -52.66 172.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -144.44 119.39 5.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 152.84 92.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.379 -0.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 135.96 31.8 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.748 2.299 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -75.81 178.85 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -112.06 113.71 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.63 HG11 ' HA ' ' A' ' 47' ' ' SER . 2.4 m -120.56 120.69 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -123.48 127.55 48.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 1.0 OUTLIER -43.73 155.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.445 HG23 HD11 ' A' ' 11' ' ' LEU . 30.7 mt -89.53 -40.23 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t -102.45 -51.89 3.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.412 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 10.8 tpt -55.11 -27.94 48.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.2 m -118.48 135.93 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 8' ' ' LEU . 28.7 m -91.69 159.14 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' N ' HG22 ' A' ' 66' ' ' THR . 89.2 m-85 -124.17 176.83 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.92 151.64 51.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -42.06 -37.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -77.35 -53.67 7.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG23 ' CE ' ' A' ' 14' ' ' MET . 32.5 mm -42.14 -66.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -41.82 -56.12 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 mt -49.62 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.47 -53.27 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -45.25 -32.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 79' ' ' GLY . 15.7 m80 -96.49 -75.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.63 158.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -65.22 -10.58 32.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.88 -63.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.14 -35.68 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.6 m -45.66 -68.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 12.1 ttpp -40.81 -66.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -44.99 -50.74 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.36 -28.48 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.423 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.8 m95 -94.26 -19.06 21.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLY . 5.7 mt -101.68 14.04 33.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -33.39 -41.99 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 119' ' ' ARG . 20.4 mt -100.98 -48.7 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 9.3 t80 -45.18 117.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 95' ' ' SER . 80.4 m-20 -118.87 158.33 25.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.38 -45.83 76.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -47.3 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 92' ' ' ASP . 37.4 t -45.33 -67.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 m -115.64 162.24 17.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.96 137.36 51.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 99' ' ' PRO . 23.3 mm -62.6 134.65 95.29 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.621 0.725 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 110' ' ' PHE . 53.7 Cg_endo -69.75 -169.99 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.58 171.16 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -122.56 -33.17 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -53.62 -29.51 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -112.39 128.69 25.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -40.81 4.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.32 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -47.9 -50.28 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -56.77 -55.45 34.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.48 -44.49 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.05 -66.89 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.19 -61.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 99' ' ' PRO . 6.1 t80 -44.83 -47.86 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' OD1' ' A' ' 25' ' ' ASP . 19.3 mt -59.92 -30.64 69.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLU . 69.9 mt-30 -73.22 -44.08 60.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -65.39 -12.77 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -103.75 -24.72 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.6 ' HE2' HD22 ' A' ' 111' ' ' LEU . 25.3 m-85 -111.84 -54.28 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' GLN . 33.0 mm-40 -68.3 -58.35 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -27.52 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 53.5 mttt 47.0 49.02 15.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.473 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 8.0 ptm180 -66.84 -51.88 50.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.53 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.3 m-90 -84.8 8.23 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -65.88 130.77 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.5 t -153.36 109.38 2.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.66 60.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.75 19.82 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -50.88 -26.52 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -95.38 -64.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.31 -47.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 129' ' ' SER . 22.9 ttmt -102.65 148.52 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' LYS . 67.8 m -37.05 106.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -171.6 91.06 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.6 Cg_endo -69.73 -2.06 9.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' PRO . 47.1 t -36.57 147.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.9 p -125.39 167.28 15.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.468 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 m -97.98 -57.68 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.925 0.393 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -54.3 107.81 0.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.6 -45.11 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -49.64 -47.05 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -72.86 166.81 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.73 -63.2 2.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' LEU . 4.5 mm? -48.15 -57.5 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -41.16 -38.04 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HE1' ' HG2' ' A' ' 69' ' ' GLN . 36.5 mtm -80.84 -33.94 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 11' ' ' LEU . 1.5 tm? -55.4 -46.84 76.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -53.78 -56.91 13.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -43.97 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 mtm -58.96 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.3 p -51.89 -18.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' NE ' ' A' ' 21' ' ' ARG . . . -78.94 -29.8 49.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD13 ' NE2' ' A' ' 19' ' ' HIS . 66.5 mt -38.35 144.55 0.38 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -11.98 31.85 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.2 p-80 -104.05 2.65 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 17' ' ' LEU . 83.6 m-20 -120.74 -18.11 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 16' ' ' GLY . 22.4 mmt180 -35.16 -36.66 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASN . 30.5 mtmt -117.65 178.49 4.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.21 179.92 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -92.55 -43.37 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.564 ' CG ' HD11 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -96.19 -66.89 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 12.4 p -75.11 1.64 12.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 37.83 35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.4 tp60 -68.3 139.12 55.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -74.57 113.72 12.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.43 68.73 0.81 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.29 39.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -129.22 20.66 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.792 ' HB3' HG23 ' A' ' 42' ' ' VAL . 22.1 m-85 -147.86 161.32 41.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.8 m -143.83 121.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.606 ' ND2' HD13 ' A' ' 50' ' ' LEU . 22.0 t-20 -76.4 63.93 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 75' ' ' LEU . 81.5 mmm -33.75 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' ASN . 22.3 m -55.32 -53.27 58.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -87.35 -40.97 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.48 27.93 4.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 p -118.77 179.97 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -109.3 119.57 39.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.792 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.5 m -119.37 -176.29 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -120.75 179.79 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 15.1 t -60.45 -34.62 74.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -67.05 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' SER . 57.5 m -53.17 -47.74 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.534 ' HA ' HG11 ' A' ' 59' ' ' VAL . 49.8 p -44.37 -32.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.33 -28.59 43.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.2 t -76.99 -45.28 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.606 HD13 ' ND2' ' A' ' 35' ' ' ASN . 51.7 mt -52.6 -39.99 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.69 -32.35 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.58 -34.46 86.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 16.2 mt -57.07 173.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.425 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 18.8 t-20 -143.47 119.89 6.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.1 Cg_endo -69.71 157.16 92.22 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.334 -0.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 142.43 47.89 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -86.77 178.4 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.8 tpt85 -110.32 140.68 44.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.534 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -148.25 133.48 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -136.1 121.52 19.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -44.66 151.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.6 mt -87.92 -31.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -98.66 -54.95 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 29.6 tpp -57.46 -38.95 75.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.2 m -112.22 132.23 55.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.423 HG23 HD21 ' A' ' 8' ' ' LEU . 23.5 m -94.26 154.66 17.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.408 ' N ' HG22 ' A' ' 66' ' ' THR . 27.1 m-85 -114.86 -175.53 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 t -131.71 153.35 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' HG2' ' HE1' ' A' ' 10' ' ' MET . 1.5 tm0? -38.53 -53.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.95 -60.77 2.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -53.91 -57.14 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.49 HG22 ' CD ' ' A' ' 76' ' ' GLN . 3.8 mm -36.97 -48.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 13.6 mt-10 -59.1 -47.27 85.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 t80 -57.04 -25.78 59.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 36' ' ' MET . 22.5 mt -89.54 -41.37 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' CD ' HG22 ' A' ' 72' ' ' ILE . 85.0 mt-30 -65.61 -39.13 91.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -64.44 -23.78 67.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' VAL . 34.3 m80 -106.01 -75.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 163.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.84 -13.86 57.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 19' ' ' HIS . 29.4 tt0 -50.97 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.7 m -93.42 -37.5 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 m -44.06 -68.52 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 16.4 ttpt -39.62 -66.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.6 -50.6 9.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.3 mt -52.07 -28.98 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.437 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.3 m95 -94.29 -17.2 22.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 114' ' ' LYS . 6.4 mt -104.4 15.35 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . -31.97 -44.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.52 -43.11 6.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.527 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 2.6 t80 -56.7 94.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -119.72 40.08 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.59 43.68 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -114.52 -53.45 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.5 p -102.33 -45.08 5.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.8 t -91.61 158.65 16.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.42 169.59 10.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.6 mp -85.84 126.52 65.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 53.9 Cg_endo -69.73 -170.1 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.71 171.58 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 27' ' ' ASP . 6.6 m-85 -124.62 -23.04 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.65 -14.85 61.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 108.11 40.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -7.24 20.56 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -78.89 -46.36 18.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.35 -50.07 49.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 111' ' ' LEU . 74.1 t -47.27 -42.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -53.42 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -43.82 -55.9 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -55.03 -43.17 73.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.564 HD11 ' CG ' ' A' ' 25' ' ' ASP . 13.2 mt -63.45 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 116' ' ' GLU . 95.9 mt-30 -65.84 -38.36 88.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 16.2 mt-10 -65.04 -15.79 62.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -103.18 -24.24 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -107.94 -54.67 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' GLN . 24.9 mm-40 -71.03 -56.89 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 5.7 mmmm -80.93 -25.84 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.3 mttt 45.42 42.39 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.552 ' HD3' ' CH2' ' A' ' 120' ' ' TRP . 9.0 ptm180 -61.91 -40.23 94.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.552 ' CH2' ' HD3' ' A' ' 119' ' ' ARG . 4.9 m-90 -97.12 22.93 7.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.494 ' O ' HG23 ' A' ' 122' ' ' VAL . 26.1 t80 -77.0 131.21 38.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 121' ' ' TYR . 53.6 t -159.09 105.02 1.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.62 0.724 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.5 68.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.712 2.275 . . . . 0.0 112.341 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -40.47 5.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 124' ' ' PRO . 4.2 mp0 -35.72 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 124' ' ' PRO . 19.1 tt0 -105.08 -46.07 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -54.01 118.09 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -66.83 93.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.5 m -141.08 118.16 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 42.52 -150.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 107.64 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.6 t -68.62 100.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.7 p -125.74 110.91 14.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -46.45 135.27 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -46.61 130.12 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.52 92.16 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.759 ' HB3' HD13 ' A' ' 8' ' ' LEU . 16.4 m -48.42 113.28 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -73.96 143.62 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.81 -53.45 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' A' ' 5' ' ' SER . 3.6 mp -46.61 -44.67 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -42.11 -35.74 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' LEU . 33.7 mtp -84.88 -47.39 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD12 ' CE ' ' A' ' 14' ' ' MET . 12.3 tp -37.0 -42.35 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -57.03 -56.38 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.57 -32.19 66.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.753 ' SD ' HG23 ' A' ' 72' ' ' ILE . 27.3 mtp -63.24 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.5 ' CG2' HG21 ' A' ' 62' ' ' ILE . 58.9 p -69.26 -12.11 61.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -92.78 -34.11 7.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.458 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.823 HD13 ' NE2' ' A' ' 19' ' ' HIS . 81.1 mt -35.87 153.65 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.723 . . . . 0.0 110.902 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.7 2.49 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.823 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.0 p-80 -70.0 -9.57 55.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -118.29 34.86 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -90.66 -27.69 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -125.4 176.45 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' GLN . 2.2 t -71.73 174.02 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -94.74 -30.2 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' OD1' HD21 ' A' ' 111' ' ' LEU . 1.4 m-20 -102.47 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.76 8.24 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.569 ' OD2' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 m-20 38.82 33.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' CYS . 17.2 tt0 -75.64 144.03 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 30' ' ' GLY . 2.4 tmm_? -83.14 134.44 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' CD ' ' A' ' 31' ' ' PRO . . . 93.66 53.71 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 30' ' ' GLY . 53.9 Cg_endo -69.76 115.81 4.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.712 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.3 t -108.29 28.31 8.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.712 ' HD1' HG23 ' A' ' 32' ' ' THR . 24.0 m-85 -149.43 159.15 44.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.97 132.61 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' GLY . 37.8 t-20 -82.93 114.68 21.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.5 mmt -75.89 -24.98 55.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -76.76 -45.92 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -92.8 -31.33 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 86.71 26.24 32.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.2 p -107.08 175.92 5.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -110.96 109.68 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -112.73 -177.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.7 p -115.64 177.12 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' CE1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -57.68 -37.17 72.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.5 t -63.96 -65.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' SER . 82.7 m -57.36 -51.8 67.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 59' ' ' VAL . 93.7 p -41.74 -28.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.8 -32.86 20.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -72.69 -47.55 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -48.53 -33.31 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -65.35 -33.75 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.55 -31.47 74.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 112' ' ' GLN . 34.2 mt -58.21 171.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.429 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 57.6 t30 -138.03 120.31 10.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.73 157.62 91.79 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.332 -0.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 119.78 6.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -63.47 178.44 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -119.87 127.42 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 47' ' ' SER . 2.2 m -133.98 154.51 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -148.51 152.46 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 47.0 m -76.08 138.83 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG21 ' CG2' ' A' ' 15' ' ' THR . 17.7 mt -80.54 -28.37 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -104.05 -55.17 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.48 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 7.3 ttp -58.99 -34.59 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.3 m -118.34 138.04 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.679 ' OG1' HD11 ' A' ' 8' ' ' LEU . 8.5 t -83.18 -177.03 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.403 ' N ' ' OG1' ' A' ' 66' ' ' THR . 38.4 m-85 -144.02 -177.05 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.48 HG23 ' HG2' ' A' ' 71' ' ' GLU . 2.1 t -134.03 142.76 47.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -34.05 -49.73 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -50.71 -46.07 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' HG2' HG23 ' A' ' 68' ' ' THR . 6.2 mm-40 -65.02 -61.09 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.753 HG23 ' SD ' ' A' ' 14' ' ' MET . 1.4 mp -35.97 -64.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -46.69 -52.4 13.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -51.27 -26.83 7.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.36 -51.62 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.91 -49.8 67.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -52.78 -27.2 16.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.403 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.4 m80 -101.43 -75.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.77 162.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -63.66 -10.8 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -53.83 -64.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 31.7 m -93.16 -33.23 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -47.2 -68.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 1.0 OUTLIER -41.3 -65.81 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -45.18 -50.1 11.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 23.4 mt -52.76 -31.07 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.798 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -92.14 -14.27 29.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.5 mt -109.67 25.24 12.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.37 -47.62 68.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.52 14.97 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -106.56 118.81 37.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.97 130.23 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -47.93 -43.03 28.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -75.31 -49.28 19.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -52.51 -61.74 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.3 m -101.74 179.56 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.46 168.22 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 11.2 mm -110.28 130.97 22.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.365 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.38 162.99 14.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 8.1 m-85 -115.19 42.97 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -130.36 -38.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.95 117.4 64.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.67 31.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -76.82 -57.73 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -48.08 -41.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -58.74 -48.63 80.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -57.92 -53.46 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 1.6 t80 -56.96 -45.59 82.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD21 ' OD1' ' A' ' 25' ' ' ASP . 15.0 mt -58.38 -37.01 74.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.694 ' HG2' HD22 ' A' ' 53' ' ' LEU . 64.6 mt-30 -61.71 -43.19 99.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.02 -12.62 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.479 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 13.8 ttmt -98.23 -29.09 13.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.479 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 6.9 m-85 -118.08 -56.15 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 112' ' ' GLN . 11.0 mt-10 -58.36 -35.0 71.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -111.5 -19.89 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HD3' ' CG ' ' A' ' 121' ' ' TYR . 31.9 mttt 48.25 49.11 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.12 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -87.01 45.58 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.509 ' CG ' ' HD3' ' A' ' 118' ' ' LYS . 9.3 t80 -89.75 106.63 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 85.0 t -133.61 102.66 12.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 154.79 67.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' GLN . 54.1 Cg_endo -69.73 -38.6 7.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -38.8 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' PRO . 16.6 mt-30 -98.3 -37.86 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.6 -50.66 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -114.9 -72.64 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.7 t -171.9 155.56 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 150.27 159.0 8.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.541 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.42 42.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.1 m -69.32 131.15 44.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.4 m -103.68 148.56 25.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.492 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -58.55 161.44 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -103.45 154.6 19.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.56 -72.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -119.38 123.5 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -62.87 136.76 58.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.27 -54.5 4.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 8' ' ' LEU . 3.9 mm? -46.05 -51.38 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -44.23 -59.51 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.74 -47.69 85.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 62' ' ' ILE . 19.5 tp -40.28 -56.7 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -48.81 -44.46 39.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -46.1 -46.07 16.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.484 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 2.5 mpp? -62.84 -58.61 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -43.41 -33.18 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -63.93 -46.03 92.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.577 HD12 HD22 ' A' ' 20' ' ' ASN . 71.6 mt -37.81 153.8 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.718 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.5 Cg_endo -69.78 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.285 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 17' ' ' LEU . 23.5 p-80 -65.04 -10.44 29.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.577 HD22 HD12 ' A' ' 17' ' ' LEU . 81.7 m-20 -116.97 34.02 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 21.8 mmm180 -87.96 -39.63 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -123.89 -176.72 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 t -62.18 175.74 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 4.5 t80 -96.36 -24.61 16.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' OD1' HD21 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -106.73 -70.16 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.3 p -74.27 -5.9 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' C ' ' HB2' ' A' ' 22' ' ' LYS . 2.5 m-20 45.77 44.58 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.97 103.37 13.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -43.78 125.32 4.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 61.02 0.91 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.13 59.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.778 HG23 ' HD1' ' A' ' 33' ' ' TYR . 5.3 t -131.62 19.0 4.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.778 ' HD1' HG23 ' A' ' 32' ' ' THR . 29.4 m-85 -148.41 160.09 43.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.44 118.49 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.626 ' ND2' HG23 ' A' ' 38' ' ' VAL . 36.7 t30 -72.58 101.15 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.3 mmt -56.1 -46.0 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.3 m -50.36 -47.98 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.626 HG23 ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -105.99 17.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 36.46 37.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.6 p -108.07 177.34 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -108.05 114.47 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 33' ' ' TYR . 28.8 m -120.04 177.69 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.11 177.79 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -60.95 -34.85 75.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -64.73 -67.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' SER . 39.5 m -57.76 -52.56 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.622 ' HA ' HG11 ' A' ' 59' ' ' VAL . 66.7 p -35.55 -44.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.17 -39.39 83.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.4 m -66.97 -52.04 47.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 53' ' ' LEU . 8.5 mt -42.11 -37.92 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -62.61 -41.52 99.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.06 -31.67 48.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 50' ' ' LEU . 33.9 mt -51.44 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 11.5 t-20 -137.44 116.09 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.76 159.02 90.39 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.349 0.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 134.57 28.28 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.366 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -79.09 -177.04 5.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -118.35 130.21 55.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.4 m -134.13 145.17 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -148.57 121.67 8.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -45.57 157.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.918 HG23 HD21 ' A' ' 11' ' ' LEU . 88.0 mt -90.95 -45.09 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -92.22 -50.67 5.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.0 tpp -57.95 -37.33 73.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.3 m -112.79 135.94 52.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.5 t -85.49 169.46 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -134.11 160.64 37.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 t -114.98 161.33 18.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -40.77 -44.92 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -54.85 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -52.88 -59.78 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.0 mm -38.18 -60.48 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.78 -42.96 85.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -56.08 -46.37 79.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.11 -57.4 10.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.3 mt-30 -54.68 -41.61 70.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -53.95 -27.65 32.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 82' ' ' VAL . 32.4 m80 -110.12 -75.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.71 158.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -58.52 -18.34 28.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -46.97 -64.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 78' ' ' HIS . 28.1 m -92.25 -37.73 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.43 -68.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.1 ttpt -40.64 -67.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -44.15 -50.68 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 51.5 mt -52.06 -29.54 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.715 ' C ' HD23 ' A' ' 88' ' ' LEU . 94.5 m95 -93.53 -15.39 25.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 87' ' ' TRP . 3.0 mt -111.27 26.06 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -48.4 -50.11 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -88.95 -34.89 16.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 6.9 t80 -57.4 122.85 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -131.73 111.97 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -39.54 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -39.68 -47.65 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.4 t -103.15 -72.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 p -51.27 178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -146.8 155.38 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.2 mm -90.97 126.26 56.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.637 0.732 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.29 24.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.19 162.01 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -115.2 33.06 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -117.56 -36.79 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -97.99 125.12 45.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -17.84 37.51 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.741 2.294 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.0 -49.16 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 6.2 mmmm -67.23 -44.25 79.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -64.08 -45.83 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -58.43 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 7.6 pt-20 -48.68 -41.94 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 3.5 t80 -66.25 -54.82 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.501 HD21 ' OD1' ' A' ' 25' ' ' ASP . 13.0 mt -52.6 -46.37 66.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 116' ' ' GLU . 82.0 mt-30 -62.13 -44.01 97.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -62.88 -12.55 25.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.692 ' HE3' HD21 ' A' ' 88' ' ' LEU . 7.6 ttmm -103.03 -24.01 13.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 15.1 m-85 -116.4 -56.02 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.2 OUTLIER -61.95 -51.46 68.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -91.81 -28.04 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 121' ' ' TYR . 18.7 mttp 56.15 37.2 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 120' ' ' TRP . 58.9 ttt85 -48.84 -71.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.468 ' CE2' ' HD3' ' A' ' 119' ' ' ARG . 1.8 m-90 -81.9 40.34 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.421 ' CB ' ' HB3' ' A' ' 118' ' ' LYS . 28.8 t80 -85.48 121.11 27.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.8 t -145.53 106.34 4.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 148.41 64.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.404 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 53.6 Cg_endo -69.75 -41.84 3.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' PRO . 14.9 mm-40 -34.53 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 34.1 mm-40 -98.43 -39.66 8.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 124' ' ' PRO . . . -60.58 93.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 127' ' ' ALA . 23.5 mttm -37.55 143.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -107.43 138.43 43.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 131' ' ' PRO . . . -62.05 -62.95 5.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 130' ' ' GLY . 53.6 Cg_endo -69.82 147.49 62.6 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.9 t -82.65 143.86 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 t 62.72 42.08 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.523 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -105.4 -57.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.808 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -157.31 155.53 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.87 174.4 15.76 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t 53.5 39.87 30.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -112.45 -58.63 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.33 -45.67 93.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.58 -46.67 49.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -47.73 -48.1 29.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' LEU . 5.1 mtt -53.94 -47.37 71.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER -37.6 -58.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -43.94 -44.55 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.35 -46.87 73.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.457 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.0 mpp? -60.37 -64.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.5 p -46.83 -37.01 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -52.62 -49.34 53.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.452 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.747 HD13 ' NE2' ' A' ' 19' ' ' HIS . 42.4 mt -36.55 151.69 0.11 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.64 21.96 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.747 ' NE2' HD13 ' A' ' 17' ' ' LEU . 8.8 p-80 -83.41 -0.69 51.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.479 HD22 HD12 ' A' ' 17' ' ' LEU . 93.4 m-20 -127.25 35.38 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -93.27 -29.76 15.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -128.12 172.18 11.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.87 174.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.74 -25.51 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.974 ' CG ' HD21 ' A' ' 111' ' ' LEU . 4.8 m-20 -108.57 -68.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ASP . 17.8 p -75.94 5.57 6.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' CYS . 5.7 m-20 35.22 49.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -91.81 119.44 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -57.44 133.53 55.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.43 55.25 1.47 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.84 13.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.248 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.757 HG23 ' HD1' ' A' ' 33' ' ' TYR . 10.1 t -116.01 25.12 10.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.757 ' HD1' HG23 ' A' ' 32' ' ' THR . 19.1 m-85 -150.91 163.71 38.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.33 124.75 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -74.04 108.75 7.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -66.82 -30.35 70.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.2 m -73.25 -63.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.65 -29.22 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.82 27.73 40.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 p -113.26 -179.69 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 23.0 m-85 -108.07 117.93 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 33' ' ' TYR . 23.7 m -120.35 -178.92 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.0 -178.33 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -67.26 -27.48 67.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.208 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.4 t -70.93 -67.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' SER . 60.6 m -55.53 -47.96 75.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.744 ' HA ' HG11 ' A' ' 59' ' ' VAL . 23.5 p -38.56 -44.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 -34.72 61.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' CYS . 3.7 m -70.0 -53.9 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD22 ' ND1' ' A' ' 57' ' ' HIS . 5.0 mt -40.13 -42.38 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -58.97 -41.38 87.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -49.89 -36.21 26.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 116' ' ' GLU . 32.1 mt -57.91 173.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 2.5 t30 -137.41 121.46 12.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ASN . 54.0 Cg_endo -69.8 155.74 93.23 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.384 0.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.95 4.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' ND1' HD22 ' A' ' 50' ' ' LEU . 19.8 m170 -63.51 173.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -113.45 128.84 56.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.744 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.4 OUTLIER -131.95 139.88 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -139.09 137.23 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.3 m -57.93 152.07 16.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.2 mt -88.36 -36.51 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.3 m -103.26 -47.77 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.57 -37.68 88.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.5 m -110.98 144.63 39.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -98.45 171.7 8.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -137.5 166.29 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.594 HG22 ' OE1' ' A' ' 71' ' ' GLU . 2.6 t -108.69 161.9 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.47 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 48.9 tp60 -45.3 -65.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 6.1 pt20 -41.9 -44.88 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.594 ' OE1' HG22 ' A' ' 68' ' ' THR . 70.1 mt-10 -64.24 -54.34 35.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG23 ' CE ' ' A' ' 14' ' ' MET . 38.2 mm -45.19 -57.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 11.4 mm-40 -53.8 -60.53 3.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -41.76 -33.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.8 mt -76.72 -44.07 34.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -66.0 -50.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -47.96 -30.25 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.527 ' O ' HG22 ' A' ' 82' ' ' VAL . 29.7 m80 -100.8 -75.55 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 58.4 152.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -53.91 -17.02 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -49.95 -61.96 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.0 m -93.21 -37.19 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.89 -68.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 14.7 ttpp -39.8 -66.02 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -44.59 -51.06 9.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -52.06 -28.4 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.417 ' C ' HD23 ' A' ' 88' ' ' LEU . 96.9 m95 -94.03 -20.2 20.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' LYS . 6.0 mt -102.33 20.55 16.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -40.93 -49.44 4.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.42 -32.4 14.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.22 98.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' ASP . 18.6 t0 -115.37 41.94 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' ASP . 5.8 m-20 34.33 37.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 92' ' ' ASP . 8.0 mmp_? -120.01 -62.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.0 t -97.14 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.9 p -172.62 158.57 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.59 128.05 49.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.421 HG23 ' HD2' ' A' ' 99' ' ' PRO . 46.3 mm -58.52 132.45 85.42 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.651 0.739 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HG3' ' CG ' ' A' ' 110' ' ' PHE . 54.1 Cg_endo -69.76 -178.64 2.44 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -83.62 160.8 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.05 -38.44 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 -49.24 -35.2 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.9 135.82 19.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -42.15 -55.68 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -49.63 -44.16 47.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 111' ' ' LEU . 58.0 t -69.9 -37.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -58.14 -61.77 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -48.3 -56.11 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.53 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 3.1 t80 -57.56 -39.52 76.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.974 HD21 ' CG ' ' A' ' 25' ' ' ASP . 13.6 mt -60.32 -42.88 96.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 116' ' ' GLU . 74.8 mt-30 -58.08 -56.98 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -55.52 -13.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -91.12 -37.52 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.722 ' HE2' HD22 ' A' ' 111' ' ' LEU . 2.6 m-85 -117.97 -55.02 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.612 ' HG2' HD22 ' A' ' 53' ' ' LEU . 6.9 mm-40 -49.66 -44.39 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -105.76 -26.94 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.48 ' HD3' ' CD2' ' A' ' 121' ' ' TYR . 21.0 mttp 60.04 54.96 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -60.71 -69.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' TRP . 2.1 m-90 -85.96 39.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.48 ' CD2' ' HD3' ' A' ' 118' ' ' LYS . 14.7 t80 -82.13 108.8 15.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.56 105.01 8.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 158.5 56.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.02 27.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.65 -35.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -86.02 -31.87 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.53 151.39 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 51.32 41.36 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 42.8 t -72.67 135.29 45.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.36 42.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.36 18.42 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.4 m -99.13 44.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 t -127.14 121.21 30.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.475 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -89.35 84.52 6.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -74.9 149.21 39.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.07 -107.48 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 57.96 52.57 7.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.897 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -48.53 -60.1 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.48 -57.45 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD21 ' OG1' ' A' ' 66' ' ' THR . 4.2 mm? -41.61 -60.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -37.44 -52.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.63 ' CB ' HG21 ' A' ' 72' ' ' ILE . 88.2 mmm -52.16 -45.05 64.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -42.2 -48.68 4.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' ASP . 43.8 mtm180 -56.69 -57.13 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.7 OUTLIER -35.63 -47.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 mpp? -56.61 -56.91 15.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.3 p -51.66 -35.63 43.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' LEU . . . -53.65 -51.27 49.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD12 HD22 ' A' ' 20' ' ' ASN . 32.3 mt -35.55 151.34 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HA ' ' CG ' ' A' ' 21' ' ' ARG . 53.7 Cg_endo -69.79 -36.94 9.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.7 p-80 -73.43 -22.03 60.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.705 HD22 HD12 ' A' ' 17' ' ' LEU . 92.0 m-20 -106.02 39.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 16.8 mmm180 -96.56 -27.39 14.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -123.6 175.91 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.48 176.02 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -97.48 -30.4 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.58 -70.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 101' ' ' PHE . 13.3 p -69.42 -4.41 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 43.33 40.2 2.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 48.1 tt0 -80.09 163.31 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 50.7 ttp180 -94.53 111.2 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.27 65.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 62' ' ' ILE . 53.7 Cg_endo -69.74 124.6 11.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.827 ' HA ' HD12 ' A' ' 62' ' ' ILE . 68.3 p -117.33 23.36 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.163 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.541 ' HB3' HG23 ' A' ' 42' ' ' VAL . 9.9 m-85 -149.7 166.5 29.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 41' ' ' PHE . 15.8 m -152.16 122.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.67 111.8 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.8 mmm -71.95 -26.92 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.4 m -70.74 -53.03 17.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -85.06 -31.94 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.21 28.48 20.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 p -112.08 177.99 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 16.4 m-85 -111.36 114.81 28.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' A' ' 33' ' ' TYR . 29.6 m -119.51 -175.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.7 p -114.08 176.01 5.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' CE1' ' A' ' 33' ' ' TYR . 1.7 m -59.84 -41.56 91.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.29 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' SER . 71.0 m -57.48 -54.81 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.57 ' HA ' HG11 ' A' ' 59' ' ' VAL . 53.0 p -38.13 -35.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.3 -39.69 51.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.5 m -67.52 -53.46 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD22 ' ND1' ' A' ' 57' ' ' HIS . 3.7 mt -40.07 -45.09 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -49.95 -43.67 50.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -51.12 -30.94 25.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.554 HD22 ' HG3' ' A' ' 116' ' ' GLU . 53.7 mt -55.7 172.99 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -144.71 116.31 5.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 158.54 91.06 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.319 -0.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 120.71 7.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' ND1' HD22 ' A' ' 50' ' ' LEU . 17.4 m170 -59.53 173.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -110.46 115.14 29.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' ' 47' ' ' SER . 1.8 m -124.03 142.63 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -141.71 128.16 20.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -54.08 158.61 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 32' ' ' THR . 91.9 mt -88.96 -37.6 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.9 p -103.34 -50.53 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 27.0 mmm -59.94 -24.61 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -125.13 148.36 48.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.492 ' OG1' HD21 ' A' ' 8' ' ' LEU . 11.9 t -100.12 176.2 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -144.35 169.22 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.52 HG22 ' OE2' ' A' ' 71' ' ' GLU . 8.0 t -126.17 147.18 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.157 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' HG2' ' A' ' 73' ' ' GLU . 2.4 tm0? -34.36 -53.87 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -44.15 -46.07 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' HG22 ' A' ' 68' ' ' THR . 42.6 mt-10 -76.66 -41.89 43.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.63 HG21 ' CB ' ' A' ' 10' ' ' MET . 44.4 mm -48.65 -58.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' HG2' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -55.36 -55.81 27.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.2 t80 -46.17 -34.46 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.46 -25.65 41.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 36.0 mt-30 -80.61 -46.71 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -57.11 -15.3 5.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 82' ' ' VAL . 28.6 m80 -111.53 -76.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.824 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.38 159.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.52 -13.61 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -52.66 -63.05 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.4 m -91.57 -38.86 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.66 -68.47 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 28.1 tttt -40.33 -65.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLY . 29.9 mt-30 -43.77 -50.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 122' ' ' VAL . 75.2 mt -51.97 -36.78 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.937 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.2 m95 -86.43 -12.87 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.937 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -115.24 14.78 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' GLN . . . -55.34 -41.68 80.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 122' ' ' VAL . 11.8 mt -93.12 -24.94 18.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' HA ' ' CD1' ' A' ' 120' ' ' TRP . 5.2 t80 -41.61 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 93' ' ' ASP . 6.1 m-20 -122.02 130.72 53.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -34.12 -69.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' ASP . 36.0 mtp85 35.65 42.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t 69.51 43.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 93' ' ' ASP . 48.9 m -120.35 149.69 41.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -138.67 157.43 46.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 99' ' ' PRO . 48.6 mm -74.66 136.78 74.09 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 111.13 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.74 173.21 11.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.747 2.298 . . . . 0.0 112.324 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -79.83 159.55 26.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 12.3 m-85 -111.79 -39.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -43.84 -26.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -114.29 120.43 38.31 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -19.72 35.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.79 -44.86 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -67.3 -48.87 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.07 -38.33 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -51.6 -56.3 14.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -54.05 -65.26 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.442 ' CG ' ' HG3' ' A' ' 99' ' ' PRO . 12.2 t80 -44.4 -47.19 9.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.419 HD22 ' HE2' ' A' ' 115' ' ' TYR . 14.3 mt -52.8 -53.14 52.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.494 ' HG2' ' CD2' ' A' ' 53' ' ' LEU . 94.5 mt-30 -50.71 -52.99 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' CD ' ' HG3' ' A' ' 117' ' ' LYS . 38.9 mm-40 -58.15 -12.65 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -93.07 -35.76 13.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.419 ' HE2' HD22 ' A' ' 111' ' ' LEU . 6.8 m-85 -118.44 -56.04 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.554 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.4 mt-10 -52.22 -38.64 58.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 113' ' ' GLU . 25.4 mmtt -109.89 -21.22 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.4 mttp 54.21 47.13 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -53.33 -69.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 1.5 m-90 -89.02 47.98 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -90.89 109.4 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 86' ' ' ILE . 54.5 t -128.75 107.68 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.44 63.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 125' ' ' GLU . 53.8 Cg_endo -69.7 -38.84 7.38 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.751 2.301 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 126' ' ' GLN . 6.8 pt-20 -36.03 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 125' ' ' GLU . 1.1 tm0? -92.26 -44.87 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.94 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -101.05 110.16 22.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 p -129.21 176.82 7.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -126.61 -95.96 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 105.13 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 139.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.7 t -112.82 80.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.502 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -95.22 94.49 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.0 p -69.81 126.46 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 52.5 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -68.45 -49.28 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.6 m 49.04 41.23 18.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.52 -54.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.92 -43.53 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -53.25 -38.82 63.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.0 mtm -74.13 -48.3 30.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -45.69 -62.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -41.48 -29.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.01 -40.67 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 29.7 mtm -65.14 -63.78 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 t -56.02 -15.66 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.62 -33.96 41.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.723 HD13 ' NE2' ' A' ' 19' ' ' HIS . 13.7 mt -41.08 152.54 0.25 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HG2' ' A' ' 21' ' ' ARG . 53.1 Cg_endo -69.82 -22.38 31.89 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.723 ' NE2' HD13 ' A' ' 17' ' ' LEU . 2.1 p-80 -87.14 -1.97 58.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -120.14 -14.5 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 18' ' ' PRO . 18.7 mmm180 -40.28 -33.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -117.77 158.17 25.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 27' ' ' ASP . 2.5 t -55.17 173.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 22.4 t80 -95.0 -22.05 18.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.62 -66.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.2 p -82.38 4.51 23.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' N ' ' HB3' ' A' ' 23' ' ' CYS . 1.0 OUTLIER 44.17 26.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' GLY . 39.3 tt0 -62.65 108.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.73 85.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' GLN . . . 140.94 66.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 133.9 26.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.74 HG23 ' HD1' ' A' ' 33' ' ' TYR . 3.8 t -126.65 18.56 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.74 ' HD1' HG23 ' A' ' 32' ' ' THR . 20.2 m-85 -149.64 165.55 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.444 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 3.3 m -140.9 137.55 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' THR . 15.7 t-20 -92.63 75.98 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.618 ' SD ' HD11 ' A' ' 75' ' ' LEU . 83.0 mmm -43.11 -23.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' ASN . 61.4 m -68.57 -53.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG13 ' CZ2' ' A' ' 87' ' ' TRP . 48.4 t -88.44 -46.78 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.22 22.29 5.61 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 p -109.16 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 14' ' ' MET . 3.3 m-85 -109.89 100.41 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 50' ' ' LEU . 34.8 m -103.2 -175.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.07 -178.04 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 0.6 OUTLIER -62.91 -51.34 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -48.81 -49.15 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 81.4 m -71.58 -30.97 66.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.8 p -49.61 -34.34 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.5 -30.39 30.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 t -75.69 -22.51 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 HD11 HG11 ' A' ' 42' ' ' VAL . 16.0 mt -87.57 -40.34 14.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -77.08 -8.3 57.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.53 -20.55 54.08 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.12 178.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 10.4 t-20 -138.76 115.34 8.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.567 0.699 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' ASN . 53.8 Cg_endo -69.73 156.16 92.83 Favored 'Cis proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.05 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -81.9 -178.53 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ttm105 -116.99 127.53 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -136.07 130.03 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -127.99 134.42 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.9 m -54.57 147.78 13.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.9 mt -81.91 -33.35 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.1 p -103.13 -53.87 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 tpp -56.08 -42.72 77.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -108.26 138.88 43.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.6 p -92.32 -175.03 3.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' CZ ' HG21 ' A' ' 34' ' ' VAL . 92.3 m-85 -143.82 -176.97 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 71' ' ' GLU . 2.8 t -131.38 148.84 52.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' THR . 12.0 tm0? -36.67 -56.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -45.98 -58.92 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' H ' HG23 ' A' ' 68' ' ' THR . 16.8 mm-40 -59.78 -57.15 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' GLU . 6.2 mm -36.86 -55.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 22.8 mm-40 -56.08 -56.18 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 t80 -44.72 -30.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD11 ' SD ' ' A' ' 36' ' ' MET . 32.6 mt -85.73 -29.65 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.483 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 39.4 mt-30 -75.63 -38.02 59.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -69.72 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.639 ' O ' HG22 ' A' ' 82' ' ' VAL . 19.9 m80 -112.42 -75.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 56.7 158.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.7 m-20 -61.19 -13.1 15.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.72 -60.99 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 78' ' ' HIS . 35.2 m -93.01 -32.65 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m -50.26 -68.58 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 80' ' ' ASN . 1.0 OUTLIER -39.02 -63.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -44.53 -50.14 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.0 mt -52.08 -36.91 20.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.839 ' C ' HD23 ' A' ' 88' ' ' LEU . 95.1 m95 -85.9 -14.42 44.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.839 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.0 OUTLIER -110.44 17.79 20.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -46.68 -44.86 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.31 -18.06 16.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.48 ' HB2' ' CG ' ' A' ' 120' ' ' TRP . 5.2 t80 -71.69 124.63 25.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.53 -177.3 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.77 -37.09 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 95' ' ' SER . 5.4 ptt85 -88.41 -33.45 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.48 ' N ' ' HG2' ' A' ' 94' ' ' ARG . 49.3 m -66.78 -50.63 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -128.25 156.74 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.89 158.48 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 99' ' ' PRO . 26.9 mm -88.47 134.11 35.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.709 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.74 -173.71 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -93.71 155.72 17.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 49.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -134.34 -35.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.24 133.1 20.47 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.667 0.746 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.38 16.81 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -58.7 -51.21 70.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -61.51 -49.01 78.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.1 -39.46 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.4 ' HG2' ' NE2' ' A' ' 112' ' ' GLN . 7.9 ttmt -64.81 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -45.46 -33.39 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 2.9 t80 -79.2 -48.82 13.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.18 -37.83 70.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 116' ' ' GLU . 80.3 mt-30 -60.4 -56.73 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 117' ' ' LYS . 46.7 mm-40 -57.21 -13.19 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' NZ ' HD21 ' A' ' 88' ' ' LEU . 35.0 tttt -94.24 -35.48 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.97 -55.58 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 112' ' ' GLN . 2.3 mm-40 -54.9 -31.59 60.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER -114.49 -26.91 7.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mttp 56.77 49.8 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -60.93 -70.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.48 ' CG ' ' HB2' ' A' ' 91' ' ' PHE . 3.4 m-90 -82.31 49.3 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -90.99 127.41 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 86' ' ' ILE . 82.8 t -153.73 104.99 2.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 111.163 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 151.49 69.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 126' ' ' GLN . 53.7 Cg_endo -69.74 -34.18 15.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 124' ' ' PRO . 40.4 mt-10 -35.23 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 124' ' ' PRO . 84.2 mt-30 -96.79 -35.58 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 124' ' ' PRO . . . -92.2 71.75 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -121.12 -47.58 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.1 t 52.13 40.14 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -164.93 -129.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.437 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 154.65 67.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.3 m 54.94 41.86 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 p -45.48 -46.54 13.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -138.89 155.03 48.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -103.92 172.77 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.17 -67.49 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -87.34 96.01 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -158.42 139.16 12.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.23 -58.18 3.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 66' ' ' THR . 4.2 mp -47.57 -46.86 28.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -48.4 13.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.5 mmm -56.97 -36.09 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 11' ' ' LEU . 1.4 tm? -38.68 -65.5 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -41.59 -38.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.84 -46.61 84.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.688 ' CE ' HG23 ' A' ' 72' ' ' ILE . 2.1 mpp? -63.26 -57.57 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.2 p -51.14 -29.95 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.38 95.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD12 HD22 ' A' ' 20' ' ' ASN . 24.9 mt -46.25 153.07 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -44.09 2.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' NE2' HD13 ' A' ' 17' ' ' LEU . 14.7 p-80 -70.3 -1.1 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.596 HD22 HD12 ' A' ' 17' ' ' LEU . 92.8 m-20 -124.25 34.32 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.49 -20.86 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -131.73 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.1 t -56.02 171.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -96.21 -26.21 15.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.25 -69.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.96 3.18 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 40.34 36.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.5 151.39 45.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.48 102.81 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.59 67.33 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.09 22.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.668 2.246 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.1 p -124.79 22.73 8.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG23 ' A' ' 42' ' ' VAL . 13.3 m-85 -151.01 162.7 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.46 122.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' GLY . 17.5 t-20 -79.65 86.08 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 81.7 mmm -43.47 -47.64 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.1 m -52.32 -41.39 62.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 38' ' ' VAL . 3.4 t -108.35 14.54 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' ASN . . . 39.1 32.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -108.47 166.64 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -105.0 115.7 30.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 33' ' ' TYR . 13.2 m -122.28 -178.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.2 p -110.45 179.42 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 9.3 t -62.88 -40.18 96.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 44' ' ' THR . 17.0 t -58.52 -64.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' SER . 69.1 m -55.29 -56.72 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.435 ' HA ' HG11 ' A' ' 59' ' ' VAL . 73.5 p -36.5 -36.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.58 75.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' CYS . 31.7 m -68.92 -50.56 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.914 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD22 ' ND1' ' A' ' 57' ' ' HIS . 11.2 mt -41.21 -41.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -60.5 -42.75 96.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.38 -35.02 20.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 112' ' ' GLN . 68.9 mt -51.96 168.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -137.95 117.74 10.05 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.31 89.87 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.363 -0.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' ND1' HD22 ' A' ' 50' ' ' LEU . 24.6 m170 -65.14 -175.99 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -123.48 126.25 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -132.3 135.37 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -131.47 119.83 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 64' ' ' MET . 5.8 m -45.19 155.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.3 mt -90.48 -34.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -102.84 -46.72 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.43 ' HB2' ' CB ' ' A' ' 61' ' ' SER . 2.8 mpp? -65.67 -40.12 92.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -110.35 138.51 46.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 8' ' ' LEU . 31.8 p -91.6 -178.73 5.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -138.62 179.94 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 71' ' ' GLU . 4.1 t -132.61 153.12 51.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' THR . 32.8 tp60 -38.45 -54.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -49.85 -57.23 7.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.523 ' H ' HG23 ' A' ' 68' ' ' THR . 75.2 mt-10 -57.84 -56.65 19.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.688 HG23 ' CE ' ' A' ' 14' ' ' MET . 47.1 mm -36.91 -63.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -50.28 -56.63 10.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.0 -41.1 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 79' ' ' GLY . 9.7 mt -69.4 -50.64 44.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -56.51 -53.97 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -45.94 -34.75 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 79' ' ' GLY . 21.5 m80 -96.82 -75.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 78' ' ' HIS . . . 55.93 160.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -61.68 -15.65 41.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -48.48 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.91 -37.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -43.39 -67.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 ttpt -41.05 -67.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -43.9 -49.4 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.07 -30.43 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.461 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.6 m95 -92.34 -12.41 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 87' ' ' TRP . 7.5 mt -108.59 20.65 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.35 -56.06 2.41 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.3 mt -81.48 -41.08 22.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.718 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 17.4 t80 -59.74 94.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -122.53 48.49 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t70 52.02 39.07 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -86.91 43.94 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.2 t 62.85 35.03 13.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.413 ' CB ' ' CE2' ' A' ' 91' ' ' PHE . 19.3 m -70.04 -175.3 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.98 119.54 39.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.718 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 32.9 mm -128.65 135.18 27.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.73 155.73 65.28 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.389 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' PHE . 1.1 m-20 -85.87 31.61 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' ASP . 1.6 m-85 35.9 44.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -127.7 -30.21 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 102' ' ' ARG . 17.3 m-20 -114.11 129.61 24.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.719 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -26.79 27.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -68.74 -45.94 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -69.47 -44.81 70.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.18 -53.29 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -47.17 -52.35 15.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.86 -50.11 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -56.2 -51.48 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.2 -35.21 35.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' A' ' 116' ' ' GLU . 27.7 mt-30 -68.21 -36.54 79.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -72.13 -12.05 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.413 ' CE ' ' CD2' ' A' ' 88' ' ' LEU . 9.1 tttp -97.13 -32.02 12.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.41 ' HE2' HD21 ' A' ' 50' ' ' LEU . 4.5 m-85 -118.29 -47.37 2.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.26 -33.4 75.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -114.51 -25.36 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 121' ' ' TYR . 18.3 mtpt 55.62 45.02 25.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -55.22 -69.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -84.07 43.1 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 22.6 t80 -89.24 115.41 26.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.1 t -142.45 105.0 5.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 151.23 68.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.79 6.09 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -41.5 -32.91 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -105.75 -40.27 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.5 -175.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 136.98 50.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.7 t -98.81 83.29 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 82.41 115.23 0.48 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 0.57 5.42 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 133' ' ' SER . 17.0 t -110.9 142.6 42.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 132' ' ' SER . 31.6 t -36.7 135.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.514 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -160.2 149.47 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -65.61 90.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.83 -83.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 m -54.33 114.7 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 -66.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.24 -56.65 14.54 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.859 HD11 ' HB ' ' A' ' 66' ' ' THR . 3.8 mp -46.55 -42.47 15.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -46.71 -51.63 15.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.579 ' HB2' HG21 ' A' ' 72' ' ' ILE . 74.6 mmm -53.27 -39.24 63.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -42.78 -48.69 5.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.37 -55.24 30.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.78 -42.03 24.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.486 ' CG ' ' HG2' ' A' ' 76' ' ' GLN . 31.7 mtm -63.64 -53.75 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -51.6 -31.39 24.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.66 -44.01 95.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD13 ' NE2' ' A' ' 19' ' ' HIS . 19.3 mt -38.7 145.71 0.34 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.639 ' NE2' HD13 ' A' ' 17' ' ' LEU . 4.9 p-80 -73.23 1.43 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' LYS . 58.6 m-20 -117.25 -26.44 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -40.71 -27.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASN . 7.5 mtmp? -123.75 171.65 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' GLN . 1.8 t -73.01 -179.9 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -96.28 -38.18 10.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' CG ' HD21 ' A' ' 111' ' ' LEU . 0.6 OUTLIER -99.26 -69.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' SG ' ' CB ' ' A' ' 28' ' ' GLN . 18.6 p -73.56 2.0 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 42.89 31.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' CYS . 3.2 tp-100 -69.93 144.09 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -84.71 113.65 21.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.08 66.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 137.6 35.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 65.2 p -124.97 18.33 8.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' HB3' HG23 ' A' ' 42' ' ' VAL . 19.1 m-85 -146.35 168.32 21.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -144.38 131.39 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' CG ' HG22 ' A' ' 37' ' ' THR . 21.3 t30 -84.01 83.0 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.2 mmm -57.29 -17.76 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.753 HG23 HG23 ' A' ' 38' ' ' VAL . 1.7 t -77.99 -17.81 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.753 HG23 HG23 ' A' ' 37' ' ' THR . 69.4 t -126.02 -55.41 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.73 18.3 2.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -106.76 176.6 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.02 112.47 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 33' ' ' TYR . 26.8 m -109.07 177.32 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 20.9 p -112.97 176.67 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.405 ' HA ' ' CE1' ' A' ' 33' ' ' TYR . 5.6 m -57.31 -32.77 67.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.1 t -69.64 -67.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.4 m -53.57 -41.74 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.775 ' HA ' HG11 ' A' ' 59' ' ' VAL . 95.3 p -47.88 -33.74 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA2' ' NH2' ' A' ' 51' ' ' ARG . . . -85.79 -29.25 26.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 -46.85 46.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 mt -52.82 -29.41 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' NH2' ' HA2' ' A' ' 48' ' ' GLY . 27.1 mtm105 -67.97 -44.73 76.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.61 -33.8 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.641 HD22 ' HG3' ' A' ' 116' ' ' GLU . 61.7 mt -55.45 170.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -141.33 117.37 7.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 160.46 87.92 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.366 -0.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 147.34 62.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 37' ' ' THR . 11.7 m170 -84.09 -174.87 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -120.95 119.62 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 47' ' ' SER . 6.5 m -132.26 136.94 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 65' ' ' THR . 14.2 mtpp -138.1 126.75 23.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 64' ' ' MET . 2.8 p -43.13 154.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' CA ' ' A' ' 33' ' ' TYR . 64.9 mt -92.39 -47.26 14.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 m -94.28 -33.73 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 61' ' ' SER . 1.8 ttt -81.46 16.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.421 HG21 ' HE3' ' A' ' 60' ' ' LYS . 33.6 m -160.66 139.82 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.859 ' HB ' HD11 ' A' ' 8' ' ' LEU . 61.7 p -95.12 148.86 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -121.73 163.79 18.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HG3' ' A' ' 71' ' ' GLU . 9.3 t -117.79 157.18 27.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.474 ' NE2' ' HG3' ' A' ' 73' ' ' GLU . 7.1 tp60 -34.59 -53.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.48 -63.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' A' ' 68' ' ' THR . 18.6 mt-10 -55.04 -43.64 73.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.579 HG21 ' HB2' ' A' ' 10' ' ' MET . 29.7 mm -54.45 -65.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.092 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HG3' ' NE2' ' A' ' 69' ' ' GLN . 33.6 mt-10 -49.59 -35.31 20.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t80 -66.34 -32.5 73.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.75 -27.43 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' CG ' ' A' ' 14' ' ' MET . 82.6 mt-30 -78.96 -39.32 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -67.15 -21.61 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 77' ' ' LYS . 24.9 m80 -105.08 -75.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.15 167.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.82 -7.85 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.45 -61.01 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 83' ' ' CYS . 21.1 m -93.11 -45.25 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 82' ' ' VAL . 6.6 m -37.22 -68.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.94 -64.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -45.05 -48.03 11.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.7 -28.94 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.818 ' C ' HD23 ' A' ' 88' ' ' LEU . 98.3 m95 -93.44 -14.78 26.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.818 HD23 ' C ' ' A' ' 87' ' ' TRP . 1.1 mt -109.35 14.32 23.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -39.24 -53.6 2.69 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 43.1 mt -85.17 -38.68 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.14 104.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' HB2' ' CD ' ' A' ' 94' ' ' ARG . 0.7 OUTLIER -109.18 -15.32 14.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.3 OUTLIER 73.41 34.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -74.64 -55.31 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t -114.08 -41.09 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 p -56.35 175.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -142.5 151.72 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.3 mp -81.14 132.13 57.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.588 0.709 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.264 . . . . 0.0 112.319 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -87.61 176.73 7.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -127.56 -31.17 2.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.43 -26.54 68.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.07 123.03 38.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.825 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.63 12.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.632 2.222 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -52.93 -44.97 67.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -65.94 -60.46 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 111' ' ' LEU . 59.1 t -48.78 -36.43 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -56.57 -59.3 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -50.72 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 110' ' ' PHE . 4.4 t80 -47.12 -43.7 20.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 107' ' ' VAL . 12.4 mt -58.26 -38.59 77.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 68.2 mt-30 -59.49 -56.17 25.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.36 -12.81 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.525 ' HZ1' HD21 ' A' ' 88' ' ' LEU . 33.4 tttt -95.87 -33.55 12.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -117.54 -55.92 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.641 ' HG3' HD22 ' A' ' 53' ' ' LEU . 5.3 mt-10 -54.55 -42.25 70.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -105.96 -22.22 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.8 mttt 51.73 47.84 24.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -53.99 -67.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -87.05 54.26 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -95.98 102.38 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.1 t -127.58 101.42 24.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.53 68.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 0.0 112.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -43.84 -32.72 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -105.27 -53.24 2.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -38.46 -48.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.2 164.35 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.0 p -52.84 -50.74 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 50.84 86.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.53 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.8 p -163.06 119.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.805 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.0 m -57.78 115.9 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.448 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_