data_1u97_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 1u97 _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 ' 27' ' ' LYS . . . . . 0.6 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 111.455 0.169 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.35 -30.65 5.15 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.405 2.07 . . . . 0.0 112.037 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -34.9 78.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.277 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.67 -42.38 82.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.06 -46.03 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.42 -41.31 98.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 37' ' ' ILE . 33.8 ttp180 -61.34 -53.75 52.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.36 -39.34 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -59.06 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.818 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.02 -43.02 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.571 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 80.3 mt -59.29 -39.54 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.3 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -70.03 -73.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.511 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.48 19.26 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.725 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -67.81 -111.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.495 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 63.95 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.332 -0.158 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.623 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -62.11 -22.4 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.67 -44.8 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.9 -38.57 76.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.08 -55.72 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.228 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.29 -46.18 86.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.2 -43.3 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.44 -51.36 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.304 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.34 -38.02 87.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.974 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.21 -56.19 25.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.962 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 mtp -62.04 -33.62 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.93 -24.71 75.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.957 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -64.93 -54.69 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.794 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.07 -6.33 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.61 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -144.8 130.15 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -90.82 99.69 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.957 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 CA--C 1.534 0.332 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.674 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 64.7 mttp . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 38.0 Cg_endo -65.17 -36.86 34.76 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.178 1.919 . . . . 0.0 112.606 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -31.12 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -72.26 -41.11 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -64.49 -47.88 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.0 -44.45 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -58.98 -54.89 42.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.696 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.64 -39.96 65.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -66.61 -32.16 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.776 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -69.79 -52.2 27.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.72 -35.1 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.3 -41.36 70.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.55 -69.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.348 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.21 -59.96 2.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.785 0.326 . . . . 0.0 111.405 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.95 -158.37 27.63 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.367 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.83 -23.22 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HZ1' ' HG2' ' A' ' 52' ' ' GLU . 54.0 tttm -64.75 -10.33 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.15 -44.21 61.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.28 -40.11 93.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.59 -58.21 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HG2' ' HZ1' ' A' ' 48' ' ' LYS . 44.9 mt-10 -53.68 -42.43 67.95 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.74 -36.24 82.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.77 -39.9 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.61 -46.9 86.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.09 -50.6 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.4 t -54.21 -42.62 69.99 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.506 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 84.7 mmm -62.03 -46.41 89.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.64 ' HZ1' ' HB2' ' A' ' 59' ' ' LYS . 4.9 ttmp? -55.52 -35.94 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.713 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.4 -48.66 61.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -102.21 41.18 1.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 110.999 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.04 97.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 53.8 p90 -68.86 149.19 49.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.95 -13.6 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.956 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.6 mptm? . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 110.847 -0.057 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 64.8 Cg_endo -72.62 -43.1 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.27 1.98 . . . . 0.0 112.29 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.12 -33.99 67.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.86 -46.85 87.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.98 -32.94 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.654 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.43 -56.68 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.754 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.22 -39.77 83.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.35 -41.02 96.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -64.8 -44.84 88.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.53 -46.21 87.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.51 -25.08 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.32 -43.68 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.362 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -83.81 -59.76 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.638 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -65.66 -59.5 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.223 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.1 -177.36 20.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.97 142.44 53.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.564 0.221 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.463 0.206 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.987 -179.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.949 0.404 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -87.52 -9.54 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.14 -46.55 75.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.95 -30.75 71.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -67.88 -55.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -26.82 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.05 -51.75 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -66.41 -31.52 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.01 -49.87 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.15 -49.57 71.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.82 -42.36 99.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -65.77 -22.73 66.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.581 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.47 -37.81 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.759 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.8 8.67 40.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.694 0.283 . . . . 0.0 111.262 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.71 -119.12 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.681 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -132.59 -173.08 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.634 0.254 . . . . 0.0 110.802 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.56 177.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.894 0.378 . . . . 0.0 111.042 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 27.8 ttpp . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 51.5 Cg_exo -53.87 -36.63 83.74 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.184 1.923 . . . . 0.0 112.833 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 9.2 tp10 -59.86 -39.9 86.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.701 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.64 -35.07 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.08 -56.42 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.44 -36.21 73.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -62.73 -53.77 49.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.73 -35.41 72.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -62.7 -52.04 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -59.86 -39.87 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.05 -28.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.35 -50.61 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.756 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -69.22 -60.62 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.708 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -65.51 -59.52 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.492 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.05 177.27 14.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.744 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -73.07 143.58 47.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.708 0.29 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.159 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.645 0.259 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -67.43 -17.14 64.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.03 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.28 -47.69 69.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -68.35 -32.32 72.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.01 -53.16 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.37 -37.63 87.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.59 -47.92 81.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.056 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.416 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 64.2 t80 -68.61 -32.78 72.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -66.69 -48.52 69.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.316 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.5 -40.28 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.65 -41.68 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.509 ' HE1' ' H ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -71.8 -43.91 64.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.715 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.36 -28.14 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.7 -47.12 92.75 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.64 -63.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.87 -121.12 0.69 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.62 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.509 ' H ' ' HE1' ' A' ' 58' ' ' MET . 17.8 p90 -149.45 115.57 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 40.65 -94.96 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.942 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 35.8 mmtp . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 57.5 Cg_endo -69.51 -30.52 23.29 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.914 1.743 . . . . 0.0 112.43 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.39 -37.36 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -64.08 -40.42 96.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.54 -43.29 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.5 -49.12 78.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -57.14 -50.53 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.738 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.0 -35.59 71.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -63.6 -47.36 81.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.83 -40.69 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.6 mt -69.47 -27.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 tp -76.47 -41.22 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -82.17 -65.53 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.599 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -65.47 -54.42 28.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.999 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.01 -163.22 22.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.592 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -115.03 -5.09 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 121.001 0.429 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -57.59 -22.8 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.657 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.85 -50.59 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 111.089 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -71.24 -31.62 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.16 -53.99 25.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.56 -37.26 86.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -61.53 -48.14 82.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.928 0.394 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.63 -49.75 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.446 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.98 -39.65 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.524 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.36 -37.41 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -75.17 -47.27 29.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.32 -18.36 65.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.63 -18.62 75.85 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.803 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.52 8.27 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 0.189 . . . . 0.0 111.437 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.74 -124.67 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.269 -0.967 . . . . 0.0 113.048 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -100.17 170.26 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.679 0.276 . . . . 0.0 110.588 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.66 163.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.2 mttm . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -67.42 -38.74 14.14 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.214 1.943 . . . . 0.0 111.823 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -37.59 87.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.036 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HE3' HH21 ' A' ' 33' ' ' ARG . 24.1 tptm -72.0 -30.97 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.12 -48.67 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.7 -45.4 86.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 HH21 ' HE3' ' A' ' 30' ' ' LYS . 32.1 ttp180 -60.45 -54.5 44.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.954 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -52.87 -56.91 12.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.92 -43.11 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' HG ' ' HB2' ' A' ' 47' ' ' CYS . 42.1 t -56.76 -53.78 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.9 -42.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.32 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -73.82 -70.69 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.4 ' C ' HD21 ' A' ' 40' ' ' ASN . 0.3 OUTLIER -150.82 3.63 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.491 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.07 19.27 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -70.65 -48.07 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB2' ' HG ' ' A' ' 36' ' ' CYS . 28.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.867 0.365 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD2' HD13 ' A' ' 51' ' ' ILE . 31.9 mmmt -67.96 -10.01 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.52 -47.29 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -66.91 -37.21 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.448 HD13 ' HD2' ' A' ' 48' ' ' LYS . 52.2 mt -65.58 -50.1 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -62.84 -43.93 97.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.76 -38.8 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.16 -41.45 73.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.833 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -63.59 -44.16 94.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.962 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.74 -35.58 75.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.07 -55.02 39.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.1 ttm -65.84 -39.23 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -67.71 -22.26 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.2 -52.98 49.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.198 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -70.58 -14.96 62.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 73.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.566 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -150.9 105.16 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.541 0.21 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.54 149.11 17.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.058 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.633 -179.325 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 111.218 0.081 . . . . 0.0 111.218 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 87.2 Cg_endo -78.38 -26.9 5.7 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.187 1.924 . . . . 0.0 112.323 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.12 -42.86 91.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.546 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.15 -48.58 80.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.61 -41.47 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.27 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.81 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.94 -49.58 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.6 -37.15 86.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -64.61 -36.14 83.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -70.5 -48.15 57.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.72 -30.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -55.34 4.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.667 0.27 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.25 -37.16 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.53 HD21 ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER -83.75 -58.31 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.748 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.53 37.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.546 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 58.54 -178.14 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.863 0.363 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.592 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -50.38 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.89 -38.02 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.387 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.542 HG23 ' HZ1' ' A' ' 55' ' ' LYS . 84.4 mt -60.58 -56.32 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.682 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.92 -43.15 86.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.49 -31.87 71.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.462 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.05 -52.84 45.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HZ1' HG23 ' A' ' 51' ' ' ILE . 14.4 mptt -56.81 -42.01 78.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.32 -39.95 89.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.99 -54.06 51.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.3 mtp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.702 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -59.92 -45.32 92.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.114 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -20.0 72.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.905 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -56.56 -56.8 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.08 20.74 0.13 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.259 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -160.79 131.92 5.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.95 -172.26 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 111.25 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.587 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 4.3 ttmp? . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 60.7 Cg_endo -71.23 -23.3 24.55 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.108 1.872 . . . . 0.0 112.529 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.08 -36.68 84.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HE2' ' HH ' ' A' ' 54' ' ' TYR . 96.8 mttt -62.23 -43.49 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.801 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.44 -42.17 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD2' HG12 ' A' ' 51' ' ' ILE . 52.4 ttp180 -60.08 -51.39 69.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.39 -34.03 75.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -67.37 -34.93 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -69.06 -48.86 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.351 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -35.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -39.1 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -62.94 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.134 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.8 -59.21 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.082 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.65 -88.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -175.37 161.0 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.464 0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.572 179.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -54.13 -22.52 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.595 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.09 -50.49 54.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.1 -40.41 71.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.403 HG12 ' HD2' ' A' ' 33' ' ' ARG . 64.8 mt -60.77 -55.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.46 -44.86 89.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -58.06 -33.51 69.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.531 ' HH ' ' HE2' ' A' ' 30' ' ' LYS . 56.2 t80 -70.26 -44.1 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.38 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.27 -52.44 63.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.155 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.3 t -56.58 -32.93 65.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 tpt -78.43 -30.5 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.67 -43.72 92.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.392 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -16.2 79.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.267 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.26 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.64 0.257 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.38 -8.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.95 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -148.96 137.6 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.88 -170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.014 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 59.9 tttm . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.009 -0.043 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 93.7 Cg_endo -78.92 -26.83 5.11 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.214 1.943 . . . . 0.0 112.389 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.87 -28.21 67.34 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.308 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.607 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.98 -41.32 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.58 -47.09 76.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.173 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -62.39 -49.11 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.53 -49.99 75.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 m -61.38 -31.04 70.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.9 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.76 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.82 -29.96 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -82.0 -30.39 31.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.67 -62.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.113 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -73.84 -58.75 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.51 -172.0 32.34 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.472 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.76 113.51 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.607 0.242 . . . . 0.0 110.77 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.779 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -74.48 -9.33 58.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.81 -46.97 77.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -63.87 -40.63 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.29 -58.0 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -32.47 68.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -69.41 -34.41 74.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -68.08 -46.69 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.96 -52.39 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -56.97 -51.52 68.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -53.67 -45.22 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.81 -39.34 88.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.952 0.406 . . . . 0.0 110.247 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.34 -25.15 64.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.264 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.43 -40.99 96.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.642 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -37.21 71.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.622 0.249 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.81 -19.17 1.62 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.903 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -151.63 132.09 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -176.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.45 -0.429 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.135 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 31.8 mmtp . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 36.3 Cg_exo -57.75 -45.24 34.41 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.922 1.748 . . . . 0.0 112.201 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.42 -40.32 81.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -70.05 -28.18 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.32 -51.24 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.47 -38.89 91.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -66.19 -50.44 63.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -55.79 -46.84 77.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.57 -43.52 89.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.7 t -58.18 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.82 -31.67 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.06 -40.84 82.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -91.27 -66.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.84 -59.36 3.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.21 -178.38 17.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.555 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -102.03 -9.73 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.836 0.35 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -65.61 -10.89 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.58 -40.99 76.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.706 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -66.32 -33.52 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.256 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.17 -56.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.89 -34.1 71.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.8 -46.61 84.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.27 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -66.44 -28.99 69.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.111 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.5 -53.26 44.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.02 -39.78 83.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.22 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HA ' ' HE2' ' A' ' 58' ' ' MET . 6.1 tpt -73.95 -40.3 63.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -70.76 -22.49 62.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.481 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.18 -51.84 55.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -70.66 -43.19 69.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.37 63.5 0.05 OUTLIER Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.992 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -172.62 147.05 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.293 . . . . 0.0 110.7 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.09 -86.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.732 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 58.7 tptt . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 71.2 Cg_endo -74.26 -37.82 2.38 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.04 1.826 . . . . 0.0 112.326 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -36.92 85.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.47 -43.91 92.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.34 -41.54 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -61.75 -46.2 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.04 -54.09 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.22 -59.5 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 m -50.91 -30.97 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.16 -42.84 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.39 -29.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.64 -30.7 26.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.297 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -82.95 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.0 -55.42 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 172.63 12.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.503 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -99.85 -2.5 34.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.715 0.293 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.058 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.71 -17.42 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.4 -41.4 96.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.808 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -68.81 -36.4 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.96 -54.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.61 -36.32 78.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.496 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.94 -39.6 95.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.54 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -71.14 -32.37 68.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' HG21 ' A' ' 65' ' ' VAL . 23.9 ttmm -64.83 -51.3 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.203 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.18 -40.37 67.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.602 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 -40.71 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.329 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.8 ttp -76.86 -41.79 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -69.21 -18.41 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.13 -27.59 70.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.33 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.98 -2.39 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -140.97 3.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -174.9 138.48 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.716 0.293 . . . . 0.0 110.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -166.87 -26.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG21 ' HG3' ' A' ' 55' ' ' LYS . 28.8 m . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.275 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 75.5 mmtt . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 111.504 0.186 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 73.5 Cg_endo -74.26 -25.51 13.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.156 1.904 . . . . 0.0 112.239 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -27.64 68.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.41 -39.74 70.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.08 -42.8 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -64.88 -51.83 59.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.58 -49.42 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.394 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.34 -46.49 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.3 m -59.32 -36.93 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.248 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.75 -53.5 26.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.5 mt -62.23 -24.34 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -86.65 -30.71 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.31 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -83.69 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.939 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.86 -56.19 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.11 -158.18 23.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.68 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -115.2 -22.54 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HA ' HD13 ' A' ' 51' ' ' ILE . 95.6 mttt -69.17 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.51 -50.65 68.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -61.9 -37.77 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 48' ' ' LYS . 55.0 mt -62.34 -47.05 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.59 -40.07 90.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -60.23 -46.86 88.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.599 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.95 -28.58 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.65 -52.43 25.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.268 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.47 -40.27 92.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.51 -52.65 63.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -33.82 74.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.74 -33.05 48.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.526 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.91 -34.69 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.69 40.65 1.08 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -154.41 138.41 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 178.55 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.042 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 31.4 mmmt . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 68.9 Cg_endo -73.07 -24.61 17.0 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.909 1.74 . . . . 0.0 112.352 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.02 -37.33 81.27 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.87 -30.69 65.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.5 -47.69 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.06 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.19 -41.95 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -45.63 90.17 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.81 -55.7 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -52.4 -38.35 58.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.62 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.62 -44.55 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.439 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.41 -48.29 87.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.322 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.73 -36.34 80.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.26 -67.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.501 HD21 ' C ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -155.17 9.53 0.3 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.468 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.24 48.58 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.706 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.66 -41.76 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.605 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.77 -9.97 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.67 -48.54 79.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -62.73 -35.43 79.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.49 -48.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -60.41 -46.65 89.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -62.46 -32.72 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.411 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.13 -42.79 83.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.87 -48.63 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.26 -52.86 62.96 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.672 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.85 -35.1 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.521 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpt -70.69 -42.42 70.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.76 -27.42 68.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.233 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.58 97.18 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -79.64 -20.83 45.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.752 0.276 . . . . 0.0 110.954 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.62 135.68 4.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.18 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 34.0 t80 64.07 159.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.097 0.475 . . . . 0.0 111.554 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.48 -170.06 1.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.034 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 63.6 tttm . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.226 0.084 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 91.4 Cg_endo -78.82 -33.64 1.54 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.121 1.881 . . . . 0.0 112.302 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.69 -26.43 68.66 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.391 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.24 -41.69 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.407 . . . . 0.0 110.636 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.72 -40.5 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.24 -49.92 65.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.162 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.81 -47.82 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.94 -50.84 71.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -54.22 -49.05 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.993 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.07 -53.62 54.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.21 -18.8 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 tp -83.15 -30.92 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.329 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.13 -4.12 24.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.625 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.77 -35.89 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 111.036 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.16 158.99 32.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.78 -179.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.461 0.119 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 7.8 mtpm? -65.46 -9.42 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.76 -49.27 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.363 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.35 -36.53 84.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.577 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.56 -41.17 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.75 -46.78 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -63.91 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -71.39 -45.58 62.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.4 -46.72 87.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.41 -44.95 77.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.7 t -54.73 -43.09 72.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.414 ' HE2' ' H ' ' A' ' 64' ' ' GLU . 1.3 ttp -72.29 -35.55 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -72.34 -16.64 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.34 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.48 -53.15 36.84 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.84 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -84.06 -10.92 57.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.67 138.08 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.768 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.95 147.52 53.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' H ' ' HE2' ' A' ' 58' ' ' MET . 0.6 OUTLIER -162.2 -57.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.847 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.532 0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 16.1 tppt? . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -58.56 -30.25 91.34 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.317 2.011 . . . . 0.0 113.29 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -61.12 -31.41 71.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.76 -52.05 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.53 -41.54 85.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.71 -42.97 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.33 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.649 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.54 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 m -61.5 -33.37 73.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.58 -45.52 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.0 mt -67.32 -27.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.278 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.17 -30.97 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.223 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -88.53 -68.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -68.29 -15.85 63.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.21 168.44 44.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -80.4 142.02 34.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.09 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.761 0.315 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.589 ' HZ3' ' HB3' ' A' ' 48' ' ' LYS . 8.8 mtpm? -87.76 -9.59 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.34 -49.92 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -63.94 -40.63 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.084 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.02 -58.19 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.82 -31.41 69.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.84 -40.08 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -70.44 -37.62 74.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.28 -51.88 64.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.33 -40.63 96.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.517 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 79.3 mmm -64.32 -39.04 93.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.841 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.17 -10.44 86.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -136.59 23.25 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 95.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.21 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.517 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 44.7 p90 -60.26 166.45 2.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 0.0 111.42 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -150.88 -42.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.189 179.774 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 62.9 tttp . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 111.446 0.165 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 71.6 Cg_endo -75.62 -34.84 3.05 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.098 1.865 . . . . 0.0 112.169 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.19 -24.97 66.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.77 -50.73 48.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.282 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.23 -41.4 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.839 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -61.39 -45.86 92.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -63.95 -49.37 72.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -56.8 -35.63 68.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.1 -51.82 42.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.91 -30.72 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.296 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.29 -31.13 27.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.67 -66.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -75.78 -58.98 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.45 167.95 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.173 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.07 145.77 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.753 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.745 0.307 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -65.68 -21.28 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.12 -46.21 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.269 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -66.8 -36.93 83.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.8 -56.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.52 -40.31 78.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.24 -35.81 82.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.435 . . . . 0.0 110.62 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.3 -35.13 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -68.98 -50.74 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.471 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.31 -46.05 88.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.434 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.9 m -61.73 -45.03 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.426 ' HE3' ' HB3' ' A' ' 63' ' ' PHE . 10.7 tpt -71.89 -22.34 61.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.84 -53.75 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.73 -34.52 64.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.95 -27.41 64.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.643 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.99 92.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.591 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.426 ' HB3' ' HE3' ' A' ' 58' ' ' MET . 3.0 t80 -163.83 -144.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -49.3 157.42 0.48 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.563 0.22 . . . . 0.0 110.758 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.695 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.603 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 28.8 mtpp . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 111.427 0.158 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 33.8 Cg_exo -58.27 -37.03 97.03 Favored 'Trans proline' 0 C--N 1.353 0.816 0 C-N-CA 121.908 1.739 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.96 -31.48 72.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -69.05 -36.71 77.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.43 -39.77 70.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.687 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.49 -48.41 75.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -62.24 -48.34 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.39 -48.96 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.1 m -61.07 -37.3 82.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.62 -42.47 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.4 -29.94 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.4 mt -75.16 -34.89 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.425 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -94.26 -65.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.399 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.83 -54.34 23.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.26 170.71 13.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.628 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.09 -8.06 56.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.606 179.705 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' HD2' HD11 ' A' ' 51' ' ' ILE . 28.6 tptt -66.23 -9.96 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.33 -42.08 73.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.98 -47.52 74.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.48 HD11 ' HD2' ' A' ' 48' ' ' LYS . 97.4 mt -60.81 -53.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.425 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.82 -36.8 75.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.6 -56.99 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.66 -24.04 67.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -66.36 -52.24 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.606 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.69 -45.0 84.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.5 m -57.54 -56.81 17.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.383 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.0 -35.96 78.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.035 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -65.09 -34.76 79.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.9 -28.22 65.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.02 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.61 -42.17 87.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.666 0.27 . . . . 0.0 111.039 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.74 36.56 0.28 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -158.21 138.38 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.4 -162.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.233 0.221 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.071 179.657 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.8 mttm . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.923 -0.029 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 93.3 Cg_endo -78.7 -15.8 13.39 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.208 1.939 . . . . 0.0 111.871 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.56 -45.4 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.576 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.54 -34.91 78.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.297 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.81 -53.4 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.42 -33.39 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.319 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 37' ' ' ILE . 51.2 ttp180 -67.4 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.19 -54.0 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 m -53.23 -45.54 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.474 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.488 ' HG ' ' HA ' ' A' ' 47' ' ' CYS . 53.3 t -60.72 -39.45 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.339 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' ARG . 90.6 mt -69.29 -34.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.523 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.47 -37.47 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.729 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -85.42 -57.51 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.532 HD21 ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -65.59 -56.1 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.81 -162.4 27.42 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.87 -39.25 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.004 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' HG ' ' A' ' 36' ' ' CYS . 52.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.07 -12.63 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.97 -43.92 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -69.17 -31.35 69.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.36 -57.28 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.14 -41.55 88.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.75 -38.51 91.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.4 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.539 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -61.06 -50.13 74.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.92 -43.24 86.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.802 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.55 -42.6 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -36.8 81.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.022 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.361 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.28 53.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.34 -49.15 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 80.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.66 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -158.03 137.53 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -62.98 -22.26 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.155 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.0 p . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 62.2 mttp . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 50.0 Cg_endo -67.87 -26.49 38.06 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.073 1.849 . . . . 0.0 112.437 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.76 -35.59 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -71.15 -32.89 69.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.87 -49.24 48.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.3 -41.78 93.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.292 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -63.25 -48.95 76.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.662 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.53 -41.72 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.986 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.6 m -60.56 -49.43 77.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.7 t -56.13 -48.63 75.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.09 -23.6 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.4 tp -75.68 -34.59 60.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.52 -64.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -66.06 -59.19 4.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.82 176.45 14.39 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.767 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -100.89 -18.45 16.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.836 0.35 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.95 -10.7 59.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.33 -49.54 75.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -63.14 -39.33 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.89 -53.8 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.663 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.65 -37.64 76.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -61.68 -36.34 80.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.275 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -68.18 -45.01 74.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.643 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -57.18 -52.88 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -35.34 80.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 m -55.68 -52.08 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.904 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.1 mtp -74.28 -27.0 60.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.11 -36.84 84.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.29 -48.97 80.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.312 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 88.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.75 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.01 -83.86 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.63 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -154.53 149.81 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.33 -20.4 62.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.7 p . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.664 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 26.1 Cg_exo -62.82 -38.09 50.88 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.068 1.845 . . . . 0.0 111.972 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.82 77.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.98 -47.02 84.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.629 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.99 -43.9 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.84 -48.38 81.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.38 -52.5 65.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.294 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.77 -40.21 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -61.46 -40.87 96.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.8 -41.02 88.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.73 -33.7 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.91 -30.49 35.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -76.35 -66.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.72 -59.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.11 165.87 13.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.16 -29.2 70.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -65.26 -19.07 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.31 -48.66 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -67.51 -35.81 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.42 -56.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.672 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.75 -39.31 73.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.04 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.5 -35.29 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.971 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.81 -32.58 71.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.36 -50.53 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.97 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.46 -41.22 96.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.9 m -59.59 -57.38 13.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.412 ' HE2' ' HB2' ' A' ' 64' ' ' GLU . 15.3 tpt -57.86 -38.89 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 63' ' ' PHE . 58.7 tttm -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.64 -6.83 56.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.248 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.37 -78.16 0.6 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 117.052 0.426 . . . . 0.0 111.959 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -110.37 -38.42 1.63 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.267 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.604 ' HB2' ' HA ' ' A' ' 59' ' ' LYS . 63.4 t80 66.64 111.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 16.0 mm-40 -140.31 -1.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.782 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -97.76 -37.11 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.13 -7.81 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.697 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -106.19 -2.93 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -112.5 -4.79 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.18 -25.64 68.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -100.34 172.63 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -87.6 -179.11 6.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -120.68 -33.09 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 63.35 103.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -99.39 -34.0 10.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -157.31 128.78 6.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -78.01 138.28 38.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.69 103.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.12 162.13 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -145.0 -1.43 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -104.13 122.35 45.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -112.21 -20.16 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.62 146.16 96.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.37 162.25 43.05 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.431 2.087 . . . . 0.0 112.201 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.83 100.06 17.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.9 -6.84 19.1 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.354 2.036 . . . . 0.0 112.384 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.9 m 65.44 147.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.374 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m 61.46 -99.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m 39.43 -155.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.657 0.383 . . . . 0.0 111.831 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -162.63 19.6 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -54.79 -50.27 86.9 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.455 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.35 -30.65 5.15 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.405 2.07 . . . . 0.0 112.037 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -34.9 78.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.277 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.67 -42.38 82.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.06 -46.03 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.42 -41.31 98.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 37' ' ' ILE . 33.8 ttp180 -61.34 -53.75 52.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.36 -39.34 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -59.06 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.818 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.02 -43.02 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.571 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 80.3 mt -59.29 -39.54 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.3 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -70.03 -73.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.511 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.48 19.26 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.725 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -67.81 -111.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.495 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 63.95 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -131.06 -13.33 3.56 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -54.92 156.46 3.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.0 22.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.143 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -114.5 13.78 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p -130.6 -6.85 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -62.11 -22.4 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.67 -44.8 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.9 -38.57 76.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.08 -55.72 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.228 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.29 -46.18 86.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.2 -43.3 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.44 -51.36 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.304 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.34 -38.02 87.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.974 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.21 -56.19 25.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.962 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 mtp -62.04 -33.62 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.93 -24.71 75.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.957 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -64.93 -54.69 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.794 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.07 -6.33 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.61 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -144.8 130.15 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -90.82 99.69 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.957 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 70.1 t 62.51 129.04 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.674 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 24.7 Cg_exo -63.25 126.11 17.14 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.477 2.118 . . . . 0.0 112.271 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.8 p -70.11 139.64 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.62 -57.43 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.042 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m 61.71 15.17 6.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -134.22 -25.68 1.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.763 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 t -74.73 138.59 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.92 151.2 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.93 137.03 19.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -139.92 4.77 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.68 112.39 22.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.714 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 61.19 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -124.26 164.59 19.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -91.34 110.73 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -85.2 118.9 25.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -137.85 10.68 2.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.93 179.59 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.268 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.09 179.32 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.14 -179.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 57.48 94.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.59 166.28 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.61 135.47 86.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.62 -171.04 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.613 2.208 . . . . 0.0 112.301 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -122.74 122.68 27.11 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.29 142.18 14.85 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.475 2.117 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.31 -40.96 7.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -132.08 -82.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG13 ' SD ' ' A' ' 58' ' ' MET . 30.7 t 63.0 156.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.031 0.444 . . . . 0.0 111.39 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.4 m -103.38 122.44 44.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.981 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 64.7 mttp -78.61 -49.6 1.67 Allowed Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.739 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 38.0 Cg_endo -65.17 -36.86 34.76 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.178 1.919 . . . . 0.0 112.606 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.574 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -62.17 -31.12 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -72.26 -41.11 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -64.49 -47.88 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.0 -44.45 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -58.98 -54.89 42.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.696 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.64 -39.96 65.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -66.61 -32.16 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.776 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -69.79 -52.2 27.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.72 -35.1 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.3 -41.36 70.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.55 -69.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.348 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.21 -59.96 2.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.785 0.326 . . . . 0.0 111.405 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.95 -158.37 27.63 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.367 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.83 -23.22 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.69 15.04 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.0 p -59.49 138.94 57.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 41.1 tt0 -144.64 -23.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.8 m -103.04 27.71 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 54.0 tttm -64.75 -10.33 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.15 -44.21 61.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.28 -40.11 93.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.59 -58.21 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HG2' ' HZ1' ' A' ' 48' ' ' LYS . 44.9 mt-10 -53.68 -42.43 67.95 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.74 -36.24 82.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.77 -39.9 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.61 -46.9 86.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.09 -50.6 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.4 t -54.21 -42.62 69.99 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.506 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 84.7 mmm -62.03 -46.41 89.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.64 ' HZ1' ' HB2' ' A' ' 59' ' ' LYS . 4.9 ttmp? -55.52 -35.94 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.713 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.4 -48.66 61.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -102.21 41.18 1.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 110.999 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.04 97.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.506 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 53.8 p90 -68.86 149.19 49.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.95 -13.6 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.2 p -96.12 134.43 23.75 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.956 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.6 128.08 27.89 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.375 2.05 . . . . 0.0 112.419 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.4 p -137.45 -14.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 64.89 135.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.372 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.544 HD21 ' N ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.539 HG21 ' HG3' ' A' ' 3' ' ' GLU . 5.3 t -135.62 -16.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' HG3' HG21 ' A' ' 2' ' ' THR . 44.2 mt-10 -119.43 -179.14 3.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.798 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m 58.54 96.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -139.59 21.66 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.262 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -71.17 154.31 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.99 -175.17 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 59.69 99.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -118.08 136.42 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -86.45 159.58 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 65.11 144.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.96 165.21 13.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.2 m80 60.56 103.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.07 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.84 144.16 29.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.4 t -149.59 10.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -88.2 115.04 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 t70 60.23 102.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.383 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.79 134.28 19.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.23 141.11 42.49 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.392 2.061 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -133.62 147.56 65.05 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.89 104.16 1.87 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.089 . . . . 0.0 112.492 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -147.79 -40.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.762 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' C ' ' H ' ' A' ' 26' ' ' CYS . 24.4 p -91.41 -179.45 5.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.646 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.5 t 68.15 -6.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.339 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 85.0 m 54.78 86.58 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.592 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.6 mptm? -83.05 -51.98 0.65 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 64.8 Cg_endo -72.62 -43.1 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.27 1.98 . . . . 0.0 112.29 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 1.9 mp0 -57.12 -33.99 67.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.86 -46.85 87.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.98 -32.94 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.654 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.43 -56.68 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.754 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.22 -39.77 83.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.35 -41.02 96.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -64.8 -44.84 88.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.53 -46.21 87.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.51 -25.08 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.32 -43.68 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.362 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -83.81 -59.76 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.638 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -65.66 -59.5 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.223 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.1 -177.36 20.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.97 142.44 53.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.564 0.221 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 68.58 -72.23 0.1 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.987 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.1 t 58.09 95.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.89 -4.0 57.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -80.67 -42.94 21.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -119.61 77.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -87.52 -9.54 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.14 -46.55 75.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.95 -30.75 71.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -67.88 -55.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -26.82 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.05 -51.75 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -66.41 -31.52 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.01 -49.87 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.15 -49.57 71.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.82 -42.36 99.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -65.77 -22.73 66.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.581 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.47 -37.81 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.759 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.8 8.67 40.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.694 0.283 . . . . 0.0 111.262 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.71 -119.12 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.681 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -132.59 -173.08 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.634 0.254 . . . . 0.0 110.802 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.56 177.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.894 0.378 . . . . 0.0 111.042 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.42 134.63 85.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.86 115.6 2.23 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.669 2.246 . . . . 0.0 112.234 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.9 p -102.43 -64.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.45 -77.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.228 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.071 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -99.74 -15.24 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -116.38 -37.21 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 p -104.71 132.85 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -140.16 3.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -134.21 151.3 51.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG2' ' HG3' ' A' ' 8' ' ' GLN . 62.4 tttp -135.97 153.45 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.539 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 78.8 mt-30 60.95 100.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -116.86 -40.5 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.83 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -163.17 -20.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.48 -16.36 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -108.57 126.92 53.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.76 126.32 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.42 147.93 33.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 59.46 -176.11 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -120.87 118.32 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -73.01 155.59 39.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.47 -57.33 5.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -136.93 134.43 19.14 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.56 134.84 31.74 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.253 1.969 . . . . 0.0 112.149 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 tttp 65.3 80.72 0.23 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HG2' ' H ' ' A' ' 23' ' ' CYS . 42.9 Cg_endo -68.25 -69.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.389 2.059 . . . . 0.0 112.536 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.45 ' H ' ' HG2' ' A' ' 22' ' ' PRO . 86.4 m 58.68 23.32 10.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.14 172.55 13.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.4 m 42.34 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.063 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 m -152.58 100.9 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 27.8 ttpp -68.81 -46.86 33.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.461 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 51.5 Cg_exo -53.87 -36.63 83.74 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.184 1.923 . . . . 0.0 112.833 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 9.2 tp10 -59.86 -39.9 86.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.701 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.64 -35.07 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.08 -56.42 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.44 -36.21 73.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -62.73 -53.77 49.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.73 -35.41 72.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -62.7 -52.04 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -59.86 -39.87 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.05 -28.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.35 -50.61 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.756 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -69.22 -60.62 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.708 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -65.51 -59.52 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.492 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.05 177.27 14.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.744 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -73.07 143.58 47.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.708 0.29 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 58.76 98.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -163.08 144.2 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.32 3.18 21.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.43 -14.96 18.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.01 -1.85 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -67.43 -17.14 64.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.03 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.28 -47.69 69.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -68.35 -32.32 72.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.01 -53.16 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.37 -37.63 87.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.59 -47.92 81.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.056 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.416 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 64.2 t80 -68.61 -32.78 72.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -66.69 -48.52 69.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.316 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.5 -40.28 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.65 -41.68 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.509 ' HE1' ' H ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -71.8 -43.91 64.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.715 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.36 -28.14 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.7 -47.12 92.75 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.64 -63.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.87 -121.12 0.69 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.62 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.509 ' H ' ' HE1' ' A' ' 58' ' ' MET . 17.8 p90 -149.45 115.57 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 40.65 -94.96 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -132.39 132.23 22.74 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' HG3' ' A' ' 58' ' ' MET . 57.0 Cg_endo -70.63 134.19 25.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.38 2.053 . . . . 0.0 112.554 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -123.8 -22.01 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.988 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.93 -54.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.897 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.773 0.321 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.461 HG23 ' HG2' ' A' ' 1' ' ' MET . 57.5 p -121.32 -67.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.245 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 60.33 -85.0 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -140.73 -14.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.73 133.93 42.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -160.42 153.07 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -148.61 130.17 14.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 55.51 82.01 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -137.28 7.87 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.11 -69.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.02 10.67 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.46 110.84 22.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -132.36 169.38 16.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.9 175.94 0.09 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -151.38 135.94 17.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.79 14.8 4.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.36 142.78 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 t70 61.62 9.2 2.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt 57.34 93.46 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.17 124.45 13.47 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.428 2.085 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -153.2 149.01 20.72 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.0 130.67 37.64 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.51 2.14 . . . . 0.0 112.186 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.1 m -139.74 -7.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -163.27 -177.32 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 ' HE3' ' A' ' 27' ' ' LYS . 12.5 m 42.74 -163.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.039 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.3 m -142.32 100.12 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.775 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 35.8 mmtp -84.66 -49.38 0.62 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.765 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 57.5 Cg_endo -69.51 -30.52 23.29 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.914 1.743 . . . . 0.0 112.43 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.39 -37.36 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -64.08 -40.42 96.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.54 -43.29 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.5 -49.12 78.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -57.14 -50.53 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.738 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.0 -35.59 71.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -63.6 -47.36 81.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.83 -40.69 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.6 mt -69.47 -27.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 tp -76.47 -41.22 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -82.17 -65.53 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.599 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -65.47 -54.42 28.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.999 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.01 -163.22 22.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.592 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -115.03 -5.09 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.93 -43.0 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.7 m -67.04 101.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.741 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 62.5 4.22 1.29 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 49.8 19.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.039 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m 49.78 31.81 4.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.001 0.429 . . . . 0.0 110.569 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -57.59 -22.8 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.657 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.85 -50.59 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 111.089 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -71.24 -31.62 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.16 -53.99 25.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.56 -37.26 86.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -61.53 -48.14 82.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.928 0.394 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.63 -49.75 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.446 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.98 -39.65 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.524 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.36 -37.41 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -75.17 -47.27 29.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.32 -18.36 65.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.63 -18.62 75.85 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.803 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.52 8.27 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 0.189 . . . . 0.0 111.437 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.74 -124.67 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.269 -0.967 . . . . 0.0 113.048 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -100.17 170.26 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.679 0.276 . . . . 0.0 110.588 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.66 163.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.6 133.44 13.7 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.01 117.36 3.49 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -100.82 -50.75 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.09 -42.92 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.887 -179.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 t -135.32 -24.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -156.33 101.58 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.658 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.4 p 52.95 -169.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -156.93 106.87 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.88 -76.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 tttp 57.6 21.44 7.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -85.02 5.71 28.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -119.56 13.33 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -142.63 -30.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.9 119.72 11.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -81.35 147.64 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -92.49 145.39 24.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.95 -58.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.413 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -108.67 -176.94 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.157 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -77.81 141.38 39.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.69 4.71 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.51 -29.84 62.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.578 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -120.04 78.1 24.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.719 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.38 117.38 4.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.577 2.185 . . . . 0.0 112.419 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -170.2 72.19 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -81.34 94.72 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.56 2.173 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.7 m -147.35 51.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.9 m 60.81 103.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 t -119.55 150.08 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -174.35 30.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.2 mttm -60.83 -48.61 92.39 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.409 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -67.42 -38.74 14.14 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.214 1.943 . . . . 0.0 111.823 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -37.59 87.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.036 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HE3' HH21 ' A' ' 33' ' ' ARG . 24.1 tptm -72.0 -30.97 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.12 -48.67 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.7 -45.4 86.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 HH21 ' HE3' ' A' ' 30' ' ' LYS . 32.1 ttp180 -60.45 -54.5 44.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.954 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -52.87 -56.91 12.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.92 -43.11 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' HG ' ' HB2' ' A' ' 47' ' ' CYS . 42.1 t -56.76 -53.78 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.9 -42.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.32 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -73.82 -70.69 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' C ' HD21 ' A' ' 40' ' ' ASN . 0.3 OUTLIER -150.82 3.63 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.491 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.07 19.27 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -70.65 -48.07 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.26 -8.99 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -72.33 139.53 48.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -103.65 13.01 34.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -94.02 15.65 16.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB2' ' HG ' ' A' ' 36' ' ' CYS . 28.1 p -122.25 23.6 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.935 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD2' HD13 ' A' ' 51' ' ' ILE . 31.9 mmmt -67.96 -10.01 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.52 -47.29 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -66.91 -37.21 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.448 HD13 ' HD2' ' A' ' 48' ' ' LYS . 52.2 mt -65.58 -50.1 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -62.84 -43.93 97.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.76 -38.8 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.16 -41.45 73.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.833 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -63.59 -44.16 94.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.962 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.74 -35.58 75.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.07 -55.02 39.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.1 ttm -65.84 -39.23 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -67.71 -22.26 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.2 -52.98 49.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.198 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -70.58 -14.96 62.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 73.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.566 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -150.9 105.16 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.541 0.21 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.54 149.11 17.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.058 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.77 83.22 7.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.633 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -88.23 -1.93 6.96 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.718 2.279 . . . . 0.0 111.567 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 t -72.65 -27.67 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.9 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.4 p -82.55 -40.29 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.34 104.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.417 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -129.57 144.21 51.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.03 -29.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 59.55 13.35 3.28 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.647 ' HG2' ' H ' ' A' ' 8' ' ' GLN . 14.1 ttmm 59.76 -175.54 0.1 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.647 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 25.4 mt-30 -78.41 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -135.76 -17.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.236 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.507 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 52.4 mt-30 60.65 -172.7 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.95 -49.17 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -101.21 141.86 33.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.91 154.91 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.08 102.78 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -118.85 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.692 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -103.13 138.16 40.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -125.01 133.72 52.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -131.95 132.61 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -143.57 94.04 6.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.07 174.23 10.95 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.489 2.126 . . . . 0.0 112.272 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -131.12 82.52 63.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.44 151.78 29.58 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.6 m -78.03 -66.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.6 m -131.44 -77.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.697 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.634 HG13 ' H ' ' A' ' 27' ' ' LYS . 11.1 t 63.45 154.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.229 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.3 p -121.08 22.55 10.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.634 ' H ' HG13 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -60.46 -52.1 75.29 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 87.2 Cg_endo -78.38 -26.9 5.7 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.187 1.924 . . . . 0.0 112.323 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.12 -42.86 91.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.546 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.15 -48.58 80.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.61 -41.47 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.27 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.81 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.94 -49.58 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.6 -37.15 86.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -64.61 -36.14 83.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -70.5 -48.15 57.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.72 -30.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.43 -55.34 4.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.667 0.27 . . . . 0.0 111.325 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.25 -37.16 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.53 HD21 ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER -83.75 -58.31 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.748 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.53 37.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.546 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 58.54 -178.14 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.863 0.363 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 55.84 19.61 3.62 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -127.6 86.7 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 59.16 8.54 1.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm 47.12 31.1 1.52 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.537 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.5 p 42.68 36.86 0.89 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.592 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -50.38 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.89 -38.02 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.387 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.542 HG23 ' HZ1' ' A' ' 55' ' ' LYS . 84.4 mt -60.58 -56.32 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.682 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.92 -43.15 86.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.49 -31.87 71.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.462 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.05 -52.84 45.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HZ1' HG23 ' A' ' 51' ' ' ILE . 14.4 mptt -56.81 -42.01 78.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.32 -39.95 89.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.99 -54.06 51.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.3 mtp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.702 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -59.92 -45.32 92.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.114 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -20.0 72.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.905 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -56.56 -56.8 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.08 20.74 0.13 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.259 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -160.79 131.92 5.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.95 -172.26 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 p -116.7 77.95 8.61 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 111.25 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.06 -18.74 6.08 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.649 2.233 . . . . 0.0 112.077 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.8 p -61.14 144.68 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.3 -55.35 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.04 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.812 0.339 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.4 m -145.35 137.0 25.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.967 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.97 139.82 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.4 m -108.21 101.78 10.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -158.81 -21.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -67.05 117.13 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp 61.45 104.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -131.16 151.0 51.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.25 -42.46 91.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -109.16 112.11 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.987 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -160.27 98.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.774 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.7 t30 58.79 98.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 59.85 99.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.181 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.85 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.058 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 159.78 24.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.024 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.3 m 61.55 108.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.238 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -147.32 113.32 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.92 25.86 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.992 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp 52.04 79.83 0.33 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.44 29.54 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.661 2.241 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -158.43 122.12 2.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -88.0 20.28 1.2 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.763 2.308 . . . . 0.0 112.687 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.8 m -86.14 18.19 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.54 175.57 5.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 27' ' ' LYS . 17.3 t 66.28 154.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.197 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -140.45 20.93 2.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' H ' HG12 ' A' ' 25' ' ' VAL . 4.3 ttmp? -55.6 -50.42 87.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 60.7 Cg_endo -71.23 -23.3 24.55 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.108 1.872 . . . . 0.0 112.529 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.08 -36.68 84.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HE2' ' HH ' ' A' ' 54' ' ' TYR . 96.8 mttt -62.23 -43.49 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.801 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.44 -42.17 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD2' HG12 ' A' ' 51' ' ' ILE . 52.4 ttp180 -60.08 -51.39 69.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.39 -34.03 75.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -67.37 -34.93 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -69.06 -48.86 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.351 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -35.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -39.1 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -62.94 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.134 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.8 -59.21 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.082 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.65 -88.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.435 ' C ' ' H ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -175.37 161.0 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 67.57 -6.84 0.62 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.572 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 46' ' ' LYS . 72.0 p -93.89 91.39 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.726 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 64.9 -2.67 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.394 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 48' ' ' LYS . 44.5 mtpt 44.12 31.05 0.49 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.953 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.0 p 41.8 43.39 2.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 46' ' ' LYS . 43.7 mttp -54.13 -22.52 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.595 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.09 -50.49 54.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.1 -40.41 71.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.403 HG12 ' HD2' ' A' ' 33' ' ' ARG . 64.8 mt -60.77 -55.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.46 -44.86 89.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -58.06 -33.51 69.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.531 ' HH ' ' HE2' ' A' ' 30' ' ' LYS . 56.2 t80 -70.26 -44.1 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.38 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.27 -52.44 63.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.155 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.3 t -56.58 -32.93 65.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 tpt -78.43 -30.5 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.67 -43.72 92.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.392 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -16.2 79.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.267 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.26 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.64 0.257 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.38 -8.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.95 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -148.96 137.6 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.88 -170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.95 76.46 73.72 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.014 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.11 -10.68 10.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.714 2.276 . . . . 0.0 112.28 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 t -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.15 104.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.566 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.947 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.7 m -75.14 -52.99 9.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.39 -30.46 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.223 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -99.94 147.59 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.41 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -106.57 -17.36 14.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 62.0 106.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -137.49 -25.86 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -86.97 107.14 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -132.37 -11.66 3.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.567 HE21 ' H ' ' A' ' 11' ' ' GLU . 23.2 tp60 -103.73 150.78 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.567 ' H ' HE21 ' A' ' 10' ' ' GLN . 40.8 mt-10 -129.63 136.78 50.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.97 -7.62 57.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -104.35 126.75 51.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.88 -36.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.987 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 59.58 98.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -128.89 162.44 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.05 -29.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.63 122.51 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -91.3 147.92 36.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.57 28.29 0.45 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.571 2.181 . . . . 0.0 112.577 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -124.83 131.55 24.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.97 111.99 3.41 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.384 2.056 . . . . 0.0 112.121 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -97.19 -19.04 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.5 m -143.46 112.81 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.43 -165.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.988 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.3 m 67.51 41.13 2.43 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.39 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 59.9 tttm -68.65 -53.53 15.93 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.024 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 93.7 Cg_endo -78.92 -26.83 5.11 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.214 1.943 . . . . 0.0 112.389 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.87 -28.21 67.34 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.308 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 26' ' ' CYS . 97.9 mttt -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.607 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.98 -41.32 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.58 -47.09 76.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.173 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -62.39 -49.11 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.53 -49.99 75.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 m -61.38 -31.04 70.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.9 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.76 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.82 -29.96 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -82.0 -30.39 31.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.67 -62.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.113 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -73.84 -58.75 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.51 -172.0 32.34 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.472 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.76 113.51 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.607 0.242 . . . . 0.0 110.77 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 58.42 95.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -69.17 172.63 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.972 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 43.6 mt-10 -133.32 -8.17 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -122.07 -15.2 7.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.5 m -118.63 38.11 3.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 45' ' ' GLU . 62.8 mttm -74.48 -9.33 58.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.81 -46.97 77.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -63.87 -40.63 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.29 -58.0 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -32.47 68.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -69.41 -34.41 74.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -68.08 -46.69 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.96 -52.39 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -56.97 -51.52 68.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 51.8 t -53.67 -45.22 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.81 -39.34 88.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.952 0.406 . . . . 0.0 110.247 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.34 -25.15 64.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.264 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.43 -40.99 96.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.642 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -37.21 71.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.622 0.249 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.81 -19.17 1.62 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.903 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -151.63 132.09 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.92 -176.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.731 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.71 152.97 23.69 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.36 121.96 9.32 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.447 2.098 . . . . 0.0 112.415 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.9 m -91.26 -32.53 15.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.09 116.04 7.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.946 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p -122.93 142.46 50.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.327 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -159.04 122.12 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.3 m 65.08 124.81 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 63.07 115.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -87.8 22.59 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 62.44 98.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.06 162.49 24.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -129.59 146.59 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -150.16 -5.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.0 111.04 3.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 56.98 96.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.217 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -82.85 139.32 33.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.36 125.68 5.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.409 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -121.52 -9.27 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.4 t -167.18 -7.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.706 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.03 116.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -79.92 -71.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.015 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -151.66 149.27 23.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.14 -170.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.551 2.168 . . . . 0.0 112.419 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -113.75 102.72 55.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.739 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.44 112.35 2.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.332 2.021 . . . . 0.0 112.283 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 87.9 m -145.35 -42.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -174.35 80.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -151.9 143.75 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.59 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -149.64 68.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 31.8 mmtp -73.02 -49.72 7.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.773 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 36.3 Cg_exo -57.75 -45.24 34.41 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.922 1.748 . . . . 0.0 112.201 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.42 -40.32 81.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -70.05 -28.18 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.32 -51.24 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.47 -38.89 91.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -66.19 -50.44 63.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -55.79 -46.84 77.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.57 -43.52 89.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.7 t -58.18 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.82 -31.67 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.06 -40.84 82.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -91.27 -66.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.84 -59.36 3.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.21 -178.38 17.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.555 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -102.03 -9.73 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -90.94 0.78 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 t -64.88 156.13 31.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.713 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -124.61 -25.39 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -7.39 47.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.2 m -105.16 10.19 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.795 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -65.61 -10.89 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.58 -40.99 76.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.706 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -66.32 -33.52 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.256 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.17 -56.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.89 -34.1 71.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.8 -46.61 84.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.27 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -66.44 -28.99 69.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.111 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.5 -53.26 44.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.02 -39.78 83.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.22 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HA ' ' HE2' ' A' ' 58' ' ' MET . 6.1 tpt -73.95 -40.3 63.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -70.76 -22.49 62.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.481 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.18 -51.84 55.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -70.66 -43.19 69.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.37 63.5 0.05 OUTLIER Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.992 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -172.62 147.05 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.293 . . . . 0.0 110.7 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.09 -86.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.4 t -143.12 136.09 13.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -44.29 113.66 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.979 2.453 . . . . 0.0 112.652 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 t -61.99 137.6 58.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.04 2.6 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.854 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -152.32 162.57 40.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.46 -2.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.075 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.9 p -89.19 -17.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -94.6 154.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -83.19 4.86 24.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -104.63 139.98 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.35 110.74 21.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 63.99 117.72 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.337 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.05 121.81 40.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.67 167.39 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.15 134.41 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 58.79 -177.89 0.08 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.78 -42.41 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 58.73 101.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.304 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 t -119.87 -7.83 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -74.96 -43.28 54.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.7 115.57 26.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -110.47 123.12 36.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.38 119.43 6.34 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.291 1.994 . . . . 0.0 112.221 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HD2' HG11 ' A' ' 25' ' ' VAL . 4.1 tmtp? -137.88 88.78 15.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.98 -160.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.626 2.218 . . . . 0.0 112.308 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m 62.49 177.16 0.14 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.4 p -77.07 132.29 38.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 HG11 ' HD2' ' A' ' 21' ' ' LYS . 3.5 m -143.7 110.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.595 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.3 m -154.85 84.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.442 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 58.7 tptt -84.18 -50.43 0.62 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.315 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 71.2 Cg_endo -74.26 -37.82 2.38 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.04 1.826 . . . . 0.0 112.326 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -36.92 85.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.47 -43.91 92.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.34 -41.54 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -61.75 -46.2 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.04 -54.09 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.22 -59.5 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 m -50.91 -30.97 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.16 -42.84 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.39 -29.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.64 -30.7 26.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.297 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -82.95 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.0 -55.42 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 172.63 12.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.503 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -99.85 -2.5 34.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.715 0.293 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -109.99 -3.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -77.99 158.85 29.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.53 -26.32 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 10.5 mmpt? -77.05 -7.67 56.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.52 3.34 54.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.71 -17.42 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.4 -41.4 96.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.808 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -68.81 -36.4 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.96 -54.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.61 -36.32 78.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.496 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.94 -39.6 95.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.54 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -71.14 -32.37 68.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HG3' HG21 ' A' ' 65' ' ' VAL . 23.9 ttmm -64.83 -51.3 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.203 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.18 -40.37 67.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.602 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 -40.71 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.329 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.8 ttp -76.86 -41.79 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -69.21 -18.41 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.13 -27.59 70.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.33 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.98 -2.39 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -140.97 3.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -174.9 138.48 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.716 0.293 . . . . 0.0 110.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -166.87 -26.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG21 ' HG3' ' A' ' 55' ' ' LYS . 28.8 m -60.06 150.08 71.79 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.275 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.75 153.31 59.19 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.453 2.102 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.4 p -136.2 116.91 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.28 159.77 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.023 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.885 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.7 m -110.43 129.76 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.75 -64.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -74.5 121.45 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -156.47 -0.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -77.21 136.0 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.805 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.522 ' HB2' ' HZ3' ' A' ' 7' ' ' LYS . 9.8 mtmp? -105.72 -20.57 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 59.35 16.98 5.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -79.42 -34.56 41.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.02 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -123.13 138.96 54.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -150.54 105.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.596 HD21 ' H ' ' A' ' 14' ' ' ALA . 4.4 p-10 -147.71 -39.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.88 10.15 2.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' H ' HD21 ' A' ' 12' ' ' ASN . . . -91.88 108.43 19.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 60.8 179.25 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m -102.04 -6.08 23.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -110.52 117.27 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -96.11 -57.48 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.82 150.92 71.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.14 93.44 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.507 2.138 . . . . 0.0 112.274 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -144.75 124.06 7.02 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.06 110.02 3.0 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.291 1.994 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -166.89 149.4 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m 58.18 -175.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m 43.8 -166.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.173 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 p -172.33 14.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 75.5 mmtt -54.89 -52.3 71.91 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.504 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 73.5 Cg_endo -74.26 -25.51 13.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.156 1.904 . . . . 0.0 112.239 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -27.64 68.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.41 -39.74 70.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.08 -42.8 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -64.88 -51.83 59.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.58 -49.42 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.394 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.34 -46.49 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.3 m -59.32 -36.93 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.248 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.75 -53.5 26.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.5 mt -62.23 -24.34 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -86.65 -30.71 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.31 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -83.69 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.939 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.86 -56.19 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.11 -158.18 23.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.68 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -115.2 -22.54 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.94 -1.23 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -79.46 152.31 30.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.4 -15.09 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.961 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -91.02 -23.68 20.3 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -65.96 -13.3 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.069 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HA ' HD13 ' A' ' 51' ' ' ILE . 95.6 mttt -69.17 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.51 -50.65 68.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -61.9 -37.77 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 48' ' ' LYS . 55.0 mt -62.34 -47.05 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.59 -40.07 90.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -60.23 -46.86 88.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.599 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.95 -28.58 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.65 -52.43 25.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.268 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.47 -40.27 92.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.51 -52.65 63.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -33.82 74.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.74 -33.05 48.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.526 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.91 -34.69 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.69 40.65 1.08 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -154.41 138.41 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 178.55 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.042 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 t -119.43 79.31 20.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.92 -17.16 7.1 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.644 2.23 . . . . 0.0 112.116 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -95.25 144.54 25.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.13 -43.26 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.837 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tmm? . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.5 p -119.41 145.48 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -153.44 150.01 28.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m 60.6 104.81 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.2 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -130.28 119.58 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -104.54 133.46 49.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -116.78 -40.94 3.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 57.11 47.76 16.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.527 ' HG3' ' HG2' ' A' ' 10' ' ' GLN . 8.6 tp10 64.12 -84.46 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HG2' ' HG3' ' A' ' 9' ' ' GLU . 2.8 pt20 -166.72 61.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -93.31 -64.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 m120 55.15 96.1 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.01 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -96.29 -62.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.66 -67.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -77.79 110.69 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -169.08 146.04 3.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 60.7 -179.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.27 138.19 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 52.75 82.04 0.25 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.273 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.61 26.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.585 2.19 . . . . 0.0 112.366 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -131.61 79.47 68.81 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.0 32.85 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.8 2.333 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.1 m 62.62 -82.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.2 p -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.821 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 t -95.12 -3.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.996 0.427 . . . . 0.0 110.989 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 43.2 m -67.54 86.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 31.4 mmmt -87.16 -50.45 0.44 Allowed Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.413 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 68.9 Cg_endo -73.07 -24.61 17.0 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.909 1.74 . . . . 0.0 112.352 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 13.3 mm-40 -68.02 -37.33 81.27 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.87 -30.69 65.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.5 -47.69 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.06 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.19 -41.95 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -45.63 90.17 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.81 -55.7 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -52.4 -38.35 58.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.62 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.62 -44.55 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.439 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.41 -48.29 87.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.322 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.73 -36.34 80.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.26 -67.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.501 HD21 ' C ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -155.17 9.53 0.3 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.468 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.24 48.58 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.706 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.66 -41.76 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.605 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -133.63 5.95 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -98.6 120.9 39.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.63 8.97 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -86.09 -2.93 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.1 13.64 16.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.77 -9.97 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.67 -48.54 79.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -62.73 -35.43 79.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.49 -48.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -60.41 -46.65 89.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -62.46 -32.72 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.411 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.13 -42.79 83.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.87 -48.63 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.26 -52.86 62.96 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.672 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.85 -35.1 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.521 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpt -70.69 -42.42 70.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.76 -27.42 68.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.233 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.58 97.18 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -79.64 -20.83 45.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.752 0.276 . . . . 0.0 110.954 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.62 135.68 4.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.18 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 34.0 t80 64.07 159.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.097 0.475 . . . . 0.0 111.554 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.48 -170.06 1.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.32 131.72 75.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.034 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.9 108.21 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.311 2.007 . . . . 0.0 112.309 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -102.72 -57.95 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 61.31 103.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.821 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tmm? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -88.05 121.71 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.85 -18.87 19.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p 54.48 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.809 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.09 -38.26 9.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.99 92.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -143.37 3.87 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.592 HE21 ' H ' ' A' ' 9' ' ' GLU . 26.1 tp60 -161.25 135.85 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' H ' HE21 ' A' ' 8' ' ' GLN . 18.2 mm-40 -72.97 123.01 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.14 140.88 31.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -154.78 -45.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 m120 58.11 -174.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 m80 58.82 -172.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.06 -80.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.38 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -156.84 104.2 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -144.24 13.17 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -89.33 -42.7 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -69.14 127.62 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -128.87 107.63 18.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.29 117.47 4.17 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.424 2.083 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -138.47 96.89 9.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.35 143.99 49.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.47 2.113 . . . . 0.0 112.389 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.49 -14.65 59.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.24 107.53 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.18 -12.82 10.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -94.54 21.09 7.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.047 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 63.6 tttm -52.05 -52.27 63.51 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 91.4 Cg_endo -78.82 -33.64 1.54 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.121 1.881 . . . . 0.0 112.302 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.69 -26.43 68.66 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.391 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.24 -41.69 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.407 . . . . 0.0 110.636 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.72 -40.5 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.24 -49.92 65.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.162 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.81 -47.82 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.94 -50.84 71.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -54.22 -49.05 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.993 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.07 -53.62 54.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.21 -18.8 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 tp -83.15 -30.92 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.329 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.13 -4.12 24.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.625 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.77 -35.89 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 111.036 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.16 158.99 32.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.78 -179.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 63.81 5.95 2.51 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -66.97 121.88 16.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 44.9 mt-10 -103.86 13.17 33.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' H ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.8 1.16 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.0 m -130.42 15.82 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 7.8 mtpm? -65.46 -9.42 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.76 -49.27 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.363 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.35 -36.53 84.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.577 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.56 -41.17 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.75 -46.78 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -63.91 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -71.39 -45.58 62.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.4 -46.72 87.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.41 -44.95 77.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.7 t -54.73 -43.09 72.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.414 ' HE2' ' H ' ' A' ' 64' ' ' GLU . 1.3 ttp -72.29 -35.55 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -72.34 -16.64 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.34 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.48 -53.15 36.84 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.84 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -84.06 -10.92 57.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.67 138.08 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.768 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.95 147.52 53.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' H ' ' HE2' ' A' ' 58' ' ' MET . 0.6 OUTLIER -162.2 -57.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.847 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.07 132.71 87.37 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.22 149.23 75.88 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.235 1.956 . . . . 0.0 112.263 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -133.97 -24.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.0 -41.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.91 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -113.7 -10.5 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -136.84 113.17 9.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m 64.77 143.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.491 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.3 t70 64.89 157.22 0.09 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.356 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -128.96 161.94 28.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -91.66 -5.41 53.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.355 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.51 148.7 50.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.781 0.324 . . . . 0.0 110.782 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 102.3 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.562 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 30.0 tt0 -162.13 131.89 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 10' ' ' GLN . 14.4 mm-40 57.47 21.97 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.48 -28.89 69.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -94.12 -170.76 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.39 18.64 6.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.313 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.46 114.23 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.987 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.36 155.34 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.43 102.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.59 169.12 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -81.29 117.3 67.6 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 -179.09 1.23 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.429 2.086 . . . . 0.0 112.504 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -140.42 83.24 15.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.19 30.56 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.884 2.389 . . . . 0.0 112.098 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.54 -55.23 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.4 m -140.38 -177.81 5.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.115 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 m 44.2 -169.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 29' ' ' GLU . 13.1 t -157.93 102.97 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 16.1 tppt? -72.75 -48.43 8.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.204 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -58.56 -30.25 91.34 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.317 2.011 . . . . 0.0 113.29 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 12.0 tp10 -61.12 -31.41 71.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.76 -52.05 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.53 -41.54 85.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.71 -42.97 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.33 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.649 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.54 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 m -61.5 -33.37 73.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.58 -45.52 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.0 mt -67.32 -27.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.278 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.17 -30.97 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.223 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -88.53 -68.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -68.29 -15.85 63.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.21 168.44 44.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -80.4 142.02 34.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 55.39 90.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -141.92 7.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.603 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 65.17 5.34 2.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -137.12 1.16 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.4 p -103.62 -1.2 28.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.696 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.589 ' HZ3' ' HB3' ' A' ' 48' ' ' LYS . 8.8 mtpm? -87.76 -9.59 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.34 -49.92 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -63.94 -40.63 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.084 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.02 -58.19 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.82 -31.41 69.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.84 -40.08 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -70.44 -37.62 74.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.28 -51.88 64.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.33 -40.63 96.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.517 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 79.3 mmm -64.32 -39.04 93.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.841 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.17 -10.44 86.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -136.59 23.25 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 95.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.21 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.517 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 44.7 p90 -60.26 166.45 2.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 0.0 111.42 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -150.88 -42.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.53 149.38 98.16 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.189 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.02 116.96 4.28 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.361 2.04 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -114.02 3.15 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.45 -29.72 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.295 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.86 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.4 p -98.5 1.92 47.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.31 114.27 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -162.54 169.84 19.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -125.09 -40.48 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 57.7 97.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -93.55 -34.04 13.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.629 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 62.4 -83.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.6 178.84 7.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -82.52 155.75 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.299 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 57.64 -94.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -174.2 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.09 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 61.28 102.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.195 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.62 148.13 26.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.24 159.26 18.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.799 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -74.36 137.15 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.75 -9.81 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -86.33 -33.38 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -115.57 87.61 17.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.12 127.05 13.03 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -146.3 89.71 5.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.53 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.59 131.97 15.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.509 2.139 . . . . 0.0 112.331 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 85.9 m -97.96 -51.41 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.8 p -75.46 -162.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 m 44.79 -168.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.232 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -149.29 27.85 0.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 62.9 tttp -53.47 -51.4 76.19 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.446 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 71.6 Cg_endo -75.62 -34.84 3.05 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.098 1.865 . . . . 0.0 112.169 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.19 -24.97 66.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.77 -50.73 48.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.282 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.23 -41.4 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.839 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -61.39 -45.86 92.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -63.95 -49.37 72.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -56.8 -35.63 68.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.1 -51.82 42.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.91 -30.72 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.296 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.29 -31.13 27.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.67 -66.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -75.78 -58.98 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.45 167.95 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.173 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.07 145.77 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.753 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.79 93.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -154.96 175.9 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.38 -25.34 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.96 14.34 9.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -124.28 -14.4 6.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -65.68 -21.28 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.12 -46.21 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.269 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -66.8 -36.93 83.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.8 -56.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.52 -40.31 78.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.24 -35.81 82.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.435 . . . . 0.0 110.62 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.3 -35.13 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -68.98 -50.74 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.471 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.31 -46.05 88.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.434 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.9 m -61.73 -45.03 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.426 ' HE3' ' HB3' ' A' ' 63' ' ' PHE . 10.7 tpt -71.89 -22.34 61.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' ' 67' ' ' SER . 60.2 tttm -69.84 -53.75 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.73 -34.52 64.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.95 -27.41 64.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.643 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.99 92.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.591 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.426 ' HB3' ' HE3' ' A' ' 58' ' ' MET . 3.0 t80 -163.83 -144.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -49.3 157.42 0.48 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.563 0.22 . . . . 0.0 110.758 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG11 ' HD2' ' A' ' 66' ' ' PRO . 54.0 t 65.16 137.16 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' HG11 ' A' ' 65' ' ' VAL . 74.2 Cg_exo -38.23 103.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.845 2.363 . . . . 0.0 112.81 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 82.9 p -117.58 -35.93 3.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.77 117.86 4.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.906 . . . . 0.0 110.908 179.899 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -138.23 150.5 46.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.004 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -133.83 -73.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 p 48.95 95.44 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.713 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 62.68 104.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.54 114.83 9.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -133.19 113.91 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -88.42 150.55 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.93 106.89 4.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -101.39 172.19 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 58.6 -89.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.5 t30 64.37 144.39 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 111.318 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -104.76 145.39 30.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.66 -177.37 5.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.18 5.44 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.782 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t 59.85 100.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.69 -48.64 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -145.49 -6.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -95.51 134.08 24.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.91 -179.48 5.23 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.442 2.095 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -152.91 148.03 19.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.57 -72.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.485 2.124 . . . . 0.0 112.289 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.9 t 58.29 15.58 3.49 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.7 p -142.03 -167.65 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 t 65.4 153.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.279 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 91.9 m -140.58 106.23 5.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.712 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.603 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 28.8 mtpp -87.34 -49.95 0.45 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 33.8 Cg_exo -58.27 -37.03 97.03 Favored 'Trans proline' 0 C--N 1.353 0.816 0 C-N-CA 121.908 1.739 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 2.6 mp0 -62.96 -31.48 72.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -69.05 -36.71 77.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.43 -39.77 70.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.687 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.49 -48.41 75.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -62.24 -48.34 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.39 -48.96 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.1 m -61.07 -37.3 82.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.62 -42.47 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.4 -29.94 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.4 mt -75.16 -34.89 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.425 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -94.26 -65.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.399 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.83 -54.34 23.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.26 170.71 13.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.628 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.09 -8.06 56.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -90.02 -12.78 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.606 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -69.45 127.6 33.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.28 -22.54 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.63 ' H ' ' HD3' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -70.73 -26.04 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.4 m -104.37 24.86 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' HD2' HD11 ' A' ' 51' ' ' ILE . 28.6 tptt -66.23 -9.96 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.33 -42.08 73.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.98 -47.52 74.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.48 HD11 ' HD2' ' A' ' 48' ' ' LYS . 97.4 mt -60.81 -53.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.425 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.82 -36.8 75.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.6 -56.99 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.66 -24.04 67.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -66.36 -52.24 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.606 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.69 -45.0 84.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.5 m -57.54 -56.81 17.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.383 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.0 -35.96 78.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.035 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -65.09 -34.76 79.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.9 -28.22 65.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.02 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.61 -42.17 87.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.666 0.27 . . . . 0.0 111.039 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.74 36.56 0.28 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -158.21 138.38 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.4 -162.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.26 67.76 79.1 Favored Pre-proline 0 C--O 1.233 0.221 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.071 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -89.24 -69.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.664 2.242 . . . . 0.0 112.111 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.9 p 48.52 -162.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.462 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.72 15.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.24 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.854 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.5 m -87.93 -36.75 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 58.17 -173.74 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -122.41 145.18 48.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -158.88 -10.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HD2' HE21 ' A' ' 8' ' ' GLN . 17.0 tppt? -95.93 123.36 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.05 -30.71 68.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.776 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.465 HE21 ' HD2' ' A' ' 6' ' ' LYS . 47.1 mt-30 -69.78 -18.33 63.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.351 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 60.33 103.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -139.89 154.93 47.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.3 -31.08 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -99.98 121.26 41.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -92.41 -19.42 22.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.63 15.56 4.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.281 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.42 151.68 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.6 p -132.98 125.72 30.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -134.2 -177.99 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -119.86 177.71 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -121.46 103.36 41.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.11 158.3 58.33 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.358 2.039 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -109.95 101.01 45.73 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.627 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.39 178.88 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.365 2.043 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.4 m 59.36 92.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.268 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.4 m 57.01 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -157.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m 67.01 13.19 9.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.675 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.8 mttm -60.75 -54.36 55.35 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 93.3 Cg_endo -78.7 -15.8 13.39 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.208 1.939 . . . . 0.0 111.871 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.56 -45.4 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.576 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.54 -34.91 78.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.297 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.81 -53.4 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.42 -33.39 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.319 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 37' ' ' ILE . 51.2 ttp180 -67.4 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.19 -54.0 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 m -53.23 -45.54 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.474 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.488 ' HG ' ' HA ' ' A' ' 47' ' ' CYS . 53.3 t -60.72 -39.45 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.339 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' ARG . 90.6 mt -69.29 -34.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.523 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.47 -37.47 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.729 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -85.42 -57.51 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.532 HD21 ' N ' ' A' ' 40' ' ' ASN . 0.8 OUTLIER -65.59 -56.1 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.81 -162.4 27.42 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.87 -39.25 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -115.35 83.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -127.99 139.85 52.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.46 -35.49 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.775 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -87.27 22.08 2.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' HG ' ' A' ' 36' ' ' CYS . 52.3 t -125.1 -13.96 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.07 -12.63 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.97 -43.92 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -69.17 -31.35 69.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.36 -57.28 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.14 -41.55 88.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.75 -38.51 91.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.4 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.539 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -61.06 -50.13 74.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.92 -43.24 86.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.802 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.55 -42.6 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -36.8 81.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.022 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.361 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.28 53.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.34 -49.15 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 80.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.66 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -158.03 137.53 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -62.98 -22.26 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.155 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.0 p 37.28 84.71 0.18 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.076 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.99 -14.39 9.83 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.6 2.2 . . . . 0.0 112.495 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -64.17 120.25 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.248 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.38 110.82 3.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.931 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -133.64 143.47 48.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -130.93 122.44 26.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -143.39 109.84 5.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -131.91 124.77 30.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.8 -62.09 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.03 153.89 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -157.45 144.42 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.05 -83.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.257 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -145.32 11.09 1.3 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.101 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 57.14 -171.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -100.34 -42.5 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.8 m80 59.2 100.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.261 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.12 99.46 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -125.0 15.68 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 p -85.69 9.28 16.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.45 103.02 2.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -148.58 118.07 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -128.6 86.26 58.13 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.18 -176.94 3.52 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.523 2.148 . . . . 0.0 111.854 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.5 80.64 4.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.6 146.28 85.2 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.585 2.19 . . . . 0.0 112.146 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.7 p -161.37 169.62 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 p -68.88 112.41 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -129.27 130.56 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 p -172.99 26.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.983 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 62.2 mttp -53.41 -51.39 76.14 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.692 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 50.0 Cg_endo -67.87 -26.49 38.06 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.073 1.849 . . . . 0.0 112.437 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.76 -35.59 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -71.15 -32.89 69.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.87 -49.24 48.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.3 -41.78 93.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.292 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -63.25 -48.95 76.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.662 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.53 -41.72 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.986 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.6 m -60.56 -49.43 77.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.7 t -56.13 -48.63 75.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.09 -23.6 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.4 tp -75.68 -34.59 60.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.52 -64.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -66.06 -59.19 4.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.82 176.45 14.39 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.767 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -100.89 -18.45 16.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -80.36 -16.2 55.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -61.43 161.21 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -106.2 -13.88 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -96.24 1.43 52.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.1 p -95.94 0.14 51.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.95 -10.7 59.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.33 -49.54 75.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -63.14 -39.33 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.89 -53.8 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.663 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.65 -37.64 76.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -61.68 -36.34 80.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.275 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -68.18 -45.01 74.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.643 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -57.18 -52.88 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -35.34 80.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 m -55.68 -52.08 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.904 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.1 mtp -74.28 -27.0 60.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.11 -36.84 84.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.29 -48.97 80.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.312 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 88.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.75 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.01 -83.86 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.63 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -154.53 149.81 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.33 -20.4 62.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.7 p 36.92 73.81 0.66 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.664 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -82.07 -8.75 11.93 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.425 2.084 . . . . 0.0 112.234 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -119.5 -79.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.43 -64.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.969 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -107.56 152.29 24.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -150.69 112.13 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.3 p -99.22 168.41 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -136.89 33.59 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.109 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -128.08 15.31 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.72 -68.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -86.04 -29.65 23.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.637 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -76.92 133.15 39.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -151.11 -1.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -127.27 130.82 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.77 143.03 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -86.58 170.7 11.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.4 156.84 37.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.14 173.98 7.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.3 m 62.02 169.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.19 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -142.2 138.34 31.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.06 -64.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.632 ' HB2' ' HZ1' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -119.58 86.03 33.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.841 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.55 126.25 13.22 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.371 2.047 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm 65.28 76.74 0.3 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 69.8 Cg_endo -74.24 0.63 8.24 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.494 2.129 . . . . 0.0 112.675 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -76.25 -20.34 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' A' ' 61' ' ' TYR . 27.8 p -107.67 136.07 48.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 140.21 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.385 . . . . 0.0 111.462 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 p -169.24 20.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -52.79 -48.97 89.16 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.5 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 26.1 Cg_exo -62.82 -38.09 50.88 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.068 1.845 . . . . 0.0 111.972 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.82 77.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.98 -47.02 84.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.629 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.99 -43.9 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.84 -48.38 81.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.38 -52.5 65.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.294 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.77 -40.21 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -61.46 -40.87 96.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.8 -41.02 88.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.73 -33.7 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.91 -30.49 35.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -76.35 -66.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.72 -59.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.11 165.87 13.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.16 -29.2 70.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.74 97.26 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.2 t -140.28 12.88 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.39 13.35 5.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HB2' ' HZ1' ' A' ' 46' ' ' LYS . 10.6 mtmp? -135.71 1.32 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.868 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t -99.54 -15.61 18.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -65.26 -19.07 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.31 -48.66 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -67.51 -35.81 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.42 -56.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.672 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.75 -39.31 73.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.04 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.5 -35.29 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.971 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.81 -32.58 71.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.36 -50.53 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.97 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.46 -41.22 96.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.9 m -59.59 -57.38 13.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.412 ' HE2' ' HB2' ' A' ' 64' ' ' GLU . 15.3 tpt -57.86 -38.89 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 63' ' ' PHE . 58.7 tttm -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.64 -6.83 56.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.248 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 98.2 m-85 -123.37 -78.16 0.6 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 117.052 0.426 . . . . 0.0 111.959 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.483 ' HA3' ' HB3' ' A' ' 24' ' ' CYS . . . -110.37 -38.42 1.63 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.267 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.604 ' HB2' ' HA ' ' A' ' 59' ' ' LYS . 63.4 t80 66.64 111.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 16.0 mm-40 -140.31 -1.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.76 131.74 89.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.94 146.38 68.77 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.469 2.113 . . . . 0.0 112.231 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.2 p -131.73 -49.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 58.72 94.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.845 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 111.455 0.169 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.35 -30.65 5.15 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.405 2.07 . . . . 0.0 112.037 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -34.9 78.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.277 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.67 -42.38 82.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.06 -46.03 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.42 -41.31 98.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 37' ' ' ILE . 33.8 ttp180 -61.34 -53.75 52.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.36 -39.34 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -59.06 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.818 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.02 -43.02 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.58 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 80.3 mt -59.29 -39.54 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.3 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -70.03 -73.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.511 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -150.48 19.26 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.725 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -67.81 -111.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.495 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 63.95 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.332 -0.158 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.623 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -62.11 -22.4 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.67 -44.8 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.9 -38.57 76.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.08 -55.72 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.228 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.29 -46.18 86.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.2 -43.3 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.44 -51.36 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.304 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.34 -38.02 87.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.974 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.21 -56.19 25.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.962 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 mtp -62.04 -33.62 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.93 -24.71 75.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.957 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -64.93 -54.69 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.794 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.07 -6.33 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.61 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -144.8 130.15 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -90.82 99.69 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.957 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 CA--C 1.534 0.332 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.674 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 64.7 mttp . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 38.0 Cg_endo -65.17 -36.86 34.76 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.178 1.919 . . . . 0.0 112.606 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -31.12 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -72.26 -41.11 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -64.49 -47.88 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.0 -44.45 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -58.98 -54.89 42.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.696 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.64 -39.96 65.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -66.61 -32.16 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.776 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -69.79 -52.2 27.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.72 -35.1 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 38' ' ' LEU . 1.6 tm? -71.3 -41.36 70.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.55 -69.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.348 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.21 -59.96 2.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.785 0.326 . . . . 0.0 111.405 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.95 -158.37 27.63 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.367 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -88.83 -23.22 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.75 -10.33 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.15 -44.21 61.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.28 -40.11 93.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.59 -58.21 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.68 -42.43 67.95 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.74 -36.24 82.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.77 -39.9 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.61 -46.9 86.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.09 -50.6 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.4 t -54.21 -42.62 69.99 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.522 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 84.7 mmm -62.03 -46.41 89.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.9 ttmp? -55.52 -35.94 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.713 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.4 -48.66 61.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -102.21 41.18 1.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 110.999 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.04 97.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 53.8 p90 -68.86 149.19 49.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.95 -13.6 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.956 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.6 mptm? . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 110.847 -0.057 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 64.8 Cg_endo -72.62 -43.1 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.27 1.98 . . . . 0.0 112.29 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.12 -33.99 67.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.86 -46.85 87.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.98 -32.94 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.654 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.43 -56.68 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.754 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.22 -39.77 83.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.35 -41.02 96.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -64.8 -44.84 88.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.53 -46.21 87.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.51 -25.08 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.32 -43.68 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.362 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -83.81 -59.76 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.638 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -65.66 -59.5 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.223 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.1 -177.36 20.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 142.44 53.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.564 0.221 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.463 0.206 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.987 -179.822 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.949 0.404 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -87.52 -9.54 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.14 -46.55 75.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.95 -30.75 71.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -67.88 -55.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -26.82 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.05 -51.75 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -66.41 -31.52 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.01 -49.87 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.15 -49.57 71.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 12.1 tpt -62.82 -42.36 99.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -65.77 -22.73 66.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.581 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.47 -37.81 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.759 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.8 8.67 40.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.694 0.283 . . . . 0.0 111.262 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.71 -119.12 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.681 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' MET . 25.7 p90 -132.59 -173.08 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.634 0.254 . . . . 0.0 110.802 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.56 177.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.894 0.378 . . . . 0.0 111.042 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 27.8 ttpp . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 51.5 Cg_exo -53.87 -36.63 83.74 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.184 1.923 . . . . 0.0 112.833 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 9.2 tp10 -59.86 -39.9 86.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.701 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.64 -35.07 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.08 -56.42 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.44 -36.21 73.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -62.73 -53.77 49.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.73 -35.41 72.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -62.7 -52.04 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -59.86 -39.87 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.05 -28.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.35 -50.61 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.756 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -69.22 -60.62 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.708 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.51 -59.52 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.492 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.05 177.27 14.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.744 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -73.07 143.58 47.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.708 0.29 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.159 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.645 0.259 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -67.43 -17.14 64.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.03 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.28 -47.69 69.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -68.35 -32.32 72.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.01 -53.16 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.37 -37.63 87.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.59 -47.92 81.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.056 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 64.2 t80 -68.61 -32.78 72.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -66.69 -48.52 69.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.316 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.5 -40.28 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.65 -41.68 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.485 ' HE1' ' H ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -71.8 -43.91 64.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.715 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.36 -28.14 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.7 -47.12 92.75 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.64 -63.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.87 -121.12 0.69 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.62 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' H ' ' HE1' ' A' ' 58' ' ' MET . 17.8 p90 -149.45 115.57 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 40.65 -94.96 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.942 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 35.8 mmtp . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 57.5 Cg_endo -69.51 -30.52 23.29 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.914 1.743 . . . . 0.0 112.43 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.39 -37.36 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -64.08 -40.42 96.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.54 -43.29 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.5 -49.12 78.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -57.14 -50.53 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.738 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.0 -35.59 71.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -63.6 -47.36 81.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.83 -40.69 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.6 mt -69.47 -27.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 tp -76.47 -41.22 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -82.17 -65.53 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.599 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -65.47 -54.42 28.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.999 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.01 -163.22 22.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.592 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -115.03 -5.09 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 121.001 0.429 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -57.59 -22.8 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.657 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.85 -50.59 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 111.089 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -71.24 -31.62 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.16 -53.99 25.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.56 -37.26 86.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -61.53 -48.14 82.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.928 0.394 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.63 -49.75 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.446 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.98 -39.65 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.524 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.36 -37.41 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -75.17 -47.27 29.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.32 -18.36 65.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.63 -18.62 75.85 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.803 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.52 8.27 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 0.189 . . . . 0.0 111.437 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.74 -124.67 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.269 -0.967 . . . . 0.0 113.048 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -100.17 170.26 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.679 0.276 . . . . 0.0 110.588 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 35.3 tt0 -52.66 163.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 5.3 p . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.2 mttm . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -67.42 -38.74 14.14 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.214 1.943 . . . . 0.0 111.823 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -37.59 87.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.036 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' HH21 ' A' ' 33' ' ' ARG . 24.1 tptm -72.0 -30.97 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.12 -48.67 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.7 -45.4 86.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 HH21 ' HE3' ' A' ' 30' ' ' LYS . 32.1 ttp180 -60.45 -54.5 44.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.954 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -52.87 -56.91 12.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.92 -43.11 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.76 -53.78 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.9 -42.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.32 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -73.82 -70.69 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -150.82 3.63 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.491 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.07 19.27 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -70.65 -48.07 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.867 0.365 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD2' HD12 ' A' ' 51' ' ' ILE . 31.9 mmmt -67.96 -10.01 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.52 -47.29 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -66.91 -37.21 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.463 HD12 ' HD2' ' A' ' 48' ' ' LYS . 52.2 mt -65.58 -50.1 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -62.84 -43.93 97.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.76 -38.8 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.16 -41.45 73.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.833 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -63.59 -44.16 94.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.962 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.74 -35.58 75.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.07 -55.02 39.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.1 ttm -65.84 -39.23 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -67.71 -22.26 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.2 -52.98 49.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.198 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -70.58 -14.96 62.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 73.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.566 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -150.9 105.16 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.541 0.21 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.54 149.11 17.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.058 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.633 -179.325 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 111.218 0.081 . . . . 0.0 111.218 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 87.2 Cg_endo -78.38 -26.9 5.7 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.187 1.924 . . . . 0.0 112.323 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.12 -42.86 91.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.546 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.15 -48.58 80.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.61 -41.47 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.27 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.81 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.94 -49.58 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.6 -37.15 86.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -64.61 -36.14 83.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -70.5 -48.15 57.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.72 -30.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -84.43 -55.34 4.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.667 0.27 . . . . 0.0 111.325 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.25 -37.16 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.75 -58.31 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.53 37.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.546 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 58.54 -178.14 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.863 0.363 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.592 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -50.38 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.89 -38.02 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.387 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.58 -56.32 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.682 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.92 -43.15 86.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.49 -31.87 71.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.462 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.05 -52.84 45.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.81 -42.01 78.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.32 -39.95 89.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.99 -54.06 51.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.3 mtp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.702 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -59.92 -45.32 92.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.114 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -20.0 72.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.905 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -56.56 -56.8 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.08 20.74 0.13 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.259 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -160.79 131.92 5.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.95 -172.26 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.4 p . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 111.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 ttmp? . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 60.7 Cg_endo -71.23 -23.3 24.55 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.108 1.872 . . . . 0.0 112.529 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.08 -36.68 84.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.23 -43.49 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.801 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.44 -42.17 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD2' HG12 ' A' ' 51' ' ' ILE . 52.4 ttp180 -60.08 -51.39 69.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.39 -34.03 75.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -67.37 -34.93 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -69.06 -48.86 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.351 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -35.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.32 -39.1 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -62.94 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.134 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.8 -59.21 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.082 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.65 -88.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -175.37 161.0 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.464 0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.572 179.723 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -54.13 -22.52 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.595 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.09 -50.49 54.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.1 -40.41 71.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.431 HG12 ' HD2' ' A' ' 33' ' ' ARG . 64.8 mt -60.77 -55.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.46 -44.86 89.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -58.06 -33.51 69.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.26 -44.1 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.38 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.27 -52.44 63.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.155 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.3 t -56.58 -32.93 65.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 tpt -78.43 -30.5 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.67 -43.72 92.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.392 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -16.2 79.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.267 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.26 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.64 0.257 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.38 -8.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.95 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -148.96 137.6 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.88 -170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.014 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 59.9 tttm . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.009 -0.043 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 93.7 Cg_endo -78.92 -26.83 5.11 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.214 1.943 . . . . 0.0 112.389 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.87 -28.21 67.34 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.308 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.607 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.98 -41.32 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.58 -47.09 76.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.173 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -62.39 -49.11 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.53 -49.99 75.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 m -61.38 -31.04 70.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.9 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.76 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.82 -29.96 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -82.0 -30.39 31.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.67 -62.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.113 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -73.84 -58.75 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.51 -172.0 32.34 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.472 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.76 113.51 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.607 0.242 . . . . 0.0 110.77 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.779 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -74.48 -9.33 58.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.81 -46.97 77.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -63.87 -40.63 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.29 -58.0 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -32.47 68.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -69.41 -34.41 74.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -68.08 -46.69 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.96 -52.39 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -56.97 -51.52 68.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -53.67 -45.22 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.81 -39.34 88.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.952 0.406 . . . . 0.0 110.247 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.34 -25.15 64.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.264 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.43 -40.99 96.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.642 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -37.21 71.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.622 0.249 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.81 -19.17 1.62 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.903 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -151.63 132.09 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -63.92 -176.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.731 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.45 -0.429 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.135 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 31.8 mmtp . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 36.3 Cg_exo -57.75 -45.24 34.41 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.922 1.748 . . . . 0.0 112.201 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.42 -40.32 81.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -70.05 -28.18 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.32 -51.24 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.47 -38.89 91.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -66.19 -50.44 63.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -55.79 -46.84 77.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.57 -43.52 89.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.7 t -58.18 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.82 -31.67 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.06 -40.84 82.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -91.27 -66.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.84 -59.36 3.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.21 -178.38 17.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.555 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -102.03 -9.73 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.836 0.35 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -65.61 -10.89 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.58 -40.99 76.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.706 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -66.32 -33.52 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.256 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.17 -56.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.89 -34.1 71.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.8 -46.61 84.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.27 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -66.44 -28.99 69.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.111 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.5 -53.26 44.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.02 -39.78 83.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.22 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -73.95 -40.3 63.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -70.76 -22.49 62.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.481 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.18 -51.84 55.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -70.66 -43.19 69.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.37 63.5 0.05 OUTLIER Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.992 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -172.62 147.05 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.293 . . . . 0.0 110.7 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.09 -86.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.732 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 58.7 tptt . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 71.2 Cg_endo -74.26 -37.82 2.38 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.04 1.826 . . . . 0.0 112.326 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -36.92 85.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.47 -43.91 92.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.34 -41.54 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -61.75 -46.2 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.04 -54.09 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.7 m-20 -57.22 -59.5 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 m -50.91 -30.97 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.16 -42.84 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.39 -29.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.5 mm? -83.64 -30.7 26.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.297 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -82.95 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -68.0 -55.42 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 172.63 12.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.503 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -99.85 -2.5 34.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.715 0.293 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.058 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.71 -17.42 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.4 -41.4 96.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.808 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -68.81 -36.4 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.96 -54.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.61 -36.32 78.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.496 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.94 -39.6 95.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.54 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -71.14 -32.37 68.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG3' HG21 ' A' ' 65' ' ' VAL . 23.9 ttmm -64.83 -51.3 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.203 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.18 -40.37 67.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.602 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 -40.71 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.329 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.8 ttp -76.86 -41.79 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -69.21 -18.41 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.13 -27.59 70.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.33 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.98 -2.39 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -140.97 3.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -174.9 138.48 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.716 0.293 . . . . 0.0 110.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -166.87 -26.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 55' ' ' LYS . 28.8 m . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.275 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 75.5 mmtt . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 111.504 0.186 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 73.5 Cg_endo -74.26 -25.51 13.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.156 1.904 . . . . 0.0 112.239 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -27.64 68.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.41 -39.74 70.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.08 -42.8 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -64.88 -51.83 59.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.58 -49.42 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.394 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.34 -46.49 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.3 m -59.32 -36.93 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.248 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.75 -53.5 26.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.5 mt -62.23 -24.34 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -86.65 -30.71 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.31 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -83.69 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.939 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.86 -56.19 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.11 -158.18 23.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.68 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -115.2 -22.54 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 95.6 mttt -69.17 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.51 -50.65 68.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -61.9 -37.77 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' LYS . 55.0 mt -62.34 -47.05 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.59 -40.07 90.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -60.23 -46.86 88.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.599 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.95 -28.58 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.65 -52.43 25.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.268 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.47 -40.27 92.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.51 -52.65 63.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -33.82 74.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.74 -33.05 48.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.526 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.91 -34.69 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.69 40.65 1.08 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -154.41 138.41 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 178.55 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.042 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 31.4 mmmt . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 68.9 Cg_endo -73.07 -24.61 17.0 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.909 1.74 . . . . 0.0 112.352 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.02 -37.33 81.27 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.87 -30.69 65.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.5 -47.69 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.06 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.19 -41.95 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -45.63 90.17 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.81 -55.7 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -52.4 -38.35 58.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.62 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.62 -44.55 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.439 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.41 -48.29 87.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.322 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.73 -36.34 80.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.26 -67.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -155.17 9.53 0.3 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.468 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.24 48.58 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.706 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -107.66 -41.76 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.605 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.77 -9.97 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.67 -48.54 79.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -62.73 -35.43 79.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.49 -48.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -60.41 -46.65 89.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -62.46 -32.72 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.411 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.13 -42.79 83.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.87 -48.63 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.26 -52.86 62.96 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.672 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.85 -35.1 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.521 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpt -70.69 -42.42 70.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.76 -27.42 68.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.233 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.58 97.18 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -79.64 -20.83 45.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.752 0.276 . . . . 0.0 110.954 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.62 135.68 4.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.18 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 34.0 t80 64.07 159.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.097 0.475 . . . . 0.0 111.554 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.48 -170.06 1.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.034 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 63.6 tttm . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.226 0.084 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 91.4 Cg_endo -78.82 -33.64 1.54 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.121 1.881 . . . . 0.0 112.302 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.69 -26.43 68.66 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.391 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.24 -41.69 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.407 . . . . 0.0 110.636 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.72 -40.5 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.24 -49.92 65.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.162 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.81 -47.82 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.94 -50.84 71.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -54.22 -49.05 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.993 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.07 -53.62 54.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.21 -18.8 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 tp -83.15 -30.92 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.329 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.13 -4.12 24.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.625 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.77 -35.89 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 111.036 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.16 158.99 32.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -69.78 -179.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.461 0.119 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -65.46 -9.42 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.76 -49.27 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.363 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.35 -36.53 84.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.577 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.56 -41.17 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.75 -46.78 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -63.91 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -71.39 -45.58 62.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.4 -46.72 87.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.41 -44.95 77.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.7 t -54.73 -43.09 72.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.459 ' HE1' ' H ' ' A' ' 64' ' ' GLU . 1.3 ttp -72.29 -35.55 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -72.34 -16.64 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.34 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.48 -53.15 36.84 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.84 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -84.06 -10.92 57.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.67 138.08 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.768 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.95 147.52 53.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' H ' ' HE1' ' A' ' 58' ' ' MET . 0.6 OUTLIER -162.2 -57.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.847 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.532 0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 16.1 tppt? . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -58.56 -30.25 91.34 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.317 2.011 . . . . 0.0 113.29 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 12.0 tp10 -61.12 -31.41 71.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.76 -52.05 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.53 -41.54 85.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.71 -42.97 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.33 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.649 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.54 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 m -61.5 -33.37 73.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.58 -45.52 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.0 mt -67.32 -27.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.278 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.17 -30.97 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.223 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -88.53 -68.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -68.29 -15.85 63.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.21 168.44 44.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -80.4 142.02 34.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.09 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.761 0.315 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -87.76 -9.59 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.34 -49.92 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -63.94 -40.63 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.084 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.02 -58.19 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.82 -31.41 69.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.84 -40.08 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.3 t80 -70.44 -37.62 74.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.28 -51.88 64.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.33 -40.63 96.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.543 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 79.3 mmm -64.32 -39.04 93.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.841 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.17 -10.44 86.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -136.59 23.25 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 95.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.21 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 44.7 p90 -60.26 166.45 2.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 0.0 111.42 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -150.88 -42.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.189 179.774 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 62.9 tttp . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 111.446 0.165 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 71.6 Cg_endo -75.62 -34.84 3.05 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.098 1.865 . . . . 0.0 112.169 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.19 -24.97 66.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.77 -50.73 48.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.282 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.23 -41.4 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.839 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -61.39 -45.86 92.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -63.95 -49.37 72.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -56.8 -35.63 68.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.1 -51.82 42.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.91 -30.72 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.296 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.29 -31.13 27.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.67 -66.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -75.78 -58.98 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.45 167.95 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.173 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -70.07 145.77 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.753 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.745 0.307 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -65.68 -21.28 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.12 -46.21 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.269 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -66.8 -36.93 83.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.8 -56.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.52 -40.31 78.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.24 -35.81 82.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.435 . . . . 0.0 110.62 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.3 -35.13 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -68.98 -50.74 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.471 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.31 -46.05 88.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.434 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.9 m -61.73 -45.03 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 tpt -71.89 -22.34 61.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.84 -53.75 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.73 -34.52 64.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.95 -27.41 64.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.643 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.99 92.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.591 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -163.83 -144.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -49.3 157.42 0.48 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.563 0.22 . . . . 0.0 110.758 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.695 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.607 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 28.8 mtpp . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 111.427 0.158 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 33.8 Cg_exo -58.27 -37.03 97.03 Favored 'Trans proline' 0 C--N 1.353 0.816 0 C-N-CA 121.908 1.739 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.96 -31.48 72.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -69.05 -36.71 77.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.43 -39.77 70.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.687 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.49 -48.41 75.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -62.24 -48.34 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.39 -48.96 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.1 m -61.07 -37.3 82.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.62 -42.47 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.4 -29.94 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.4 mt -75.16 -34.89 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.425 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -94.26 -65.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.399 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.83 -54.34 23.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.26 170.71 13.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.628 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -88.09 -8.06 56.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.606 179.705 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HD2' HD12 ' A' ' 51' ' ' ILE . 28.6 tptt -66.23 -9.96 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.33 -42.08 73.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.98 -47.52 74.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.491 HD12 ' HD2' ' A' ' 48' ' ' LYS . 97.4 mt -60.81 -53.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.425 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.82 -36.8 75.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.6 -56.99 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.66 -24.04 67.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -66.36 -52.24 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.606 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.69 -45.0 84.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.5 m -57.54 -56.81 17.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.383 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.0 -35.96 78.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.035 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -65.09 -34.76 79.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.9 -28.22 65.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.02 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.61 -42.17 87.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.666 0.27 . . . . 0.0 111.039 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.74 36.56 0.28 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -158.21 138.38 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.4 -162.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.233 0.221 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.071 179.657 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.8 mttm . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.923 -0.029 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 93.3 Cg_endo -78.7 -15.8 13.39 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.208 1.939 . . . . 0.0 111.871 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.56 -45.4 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.576 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.54 -34.91 78.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.297 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.81 -53.4 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.42 -33.39 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.319 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 37' ' ' ILE . 51.2 ttp180 -67.4 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.4 t70 -57.19 -54.0 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 m -53.23 -45.54 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.474 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.72 -39.45 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.339 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 33' ' ' ARG . 90.6 mt -69.29 -34.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.523 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.3 mm? -71.47 -37.47 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.729 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -85.42 -57.51 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.59 -56.1 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.81 -162.4 27.42 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -90.87 -39.25 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.004 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.07 -12.63 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.97 -43.92 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -69.17 -31.35 69.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.36 -57.28 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.14 -41.55 88.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.75 -38.51 91.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.4 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.539 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -61.06 -50.13 74.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.92 -43.24 86.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.802 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.55 -42.6 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -36.8 81.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.022 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.361 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.28 53.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.34 -49.15 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 80.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.66 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -158.03 137.53 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -62.98 -22.26 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.155 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.0 p . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 62.2 mttp . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 50.0 Cg_endo -67.87 -26.49 38.06 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.073 1.849 . . . . 0.0 112.437 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.76 -35.59 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -71.15 -32.89 69.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.87 -49.24 48.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.3 -41.78 93.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.292 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -63.25 -48.95 76.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.662 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.53 -41.72 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.986 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.6 m -60.56 -49.43 77.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.7 t -56.13 -48.63 75.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.09 -23.6 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.4 tp -75.68 -34.59 60.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.52 -64.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -66.06 -59.19 4.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.82 176.45 14.39 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.767 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -100.89 -18.45 16.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.836 0.35 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.2 mtmt -76.95 -10.7 59.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.718 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.33 -49.54 75.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -63.14 -39.33 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 48' ' ' LYS . 75.2 mt -58.89 -53.8 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.65 -37.64 76.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -61.68 -36.34 80.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.275 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -68.18 -45.01 74.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.643 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -57.18 -52.88 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -35.34 80.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 m -55.68 -52.08 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.904 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.1 mtp -74.28 -27.0 60.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.11 -36.84 84.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.29 -48.97 80.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.312 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 88.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.75 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.01 -83.86 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.63 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -154.53 149.81 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.33 -20.4 62.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.7 p . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.664 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 26.1 Cg_exo -62.82 -38.09 50.88 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.068 1.845 . . . . 0.0 111.972 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.82 77.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.98 -47.02 84.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.629 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.99 -43.9 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.84 -48.38 81.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.38 -52.5 65.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.294 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.77 -40.21 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -61.46 -40.87 96.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.8 -41.02 88.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.73 -33.7 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.91 -30.49 35.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -76.35 -66.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.72 -59.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.11 165.87 13.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -65.16 -29.2 70.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -65.26 -19.07 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.31 -48.66 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -67.51 -35.81 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.42 -56.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.672 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.75 -39.31 73.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.04 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.5 -35.29 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.971 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.81 -32.58 71.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.36 -50.53 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.97 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.46 -41.22 96.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.9 m -59.59 -57.38 13.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 tpt -57.86 -38.89 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 63' ' ' PHE . 58.7 tttm -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.64 -6.83 56.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.248 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.37 -78.16 0.6 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 117.052 0.426 . . . . 0.0 111.959 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -110.37 -38.42 1.63 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.267 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 59' ' ' LYS . 63.4 t80 66.64 111.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -140.31 -1.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.782 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -97.76 -37.11 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.13 -7.81 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.697 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -106.19 -2.93 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -112.5 -4.79 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.18 -25.64 68.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -100.34 172.63 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -87.6 -179.11 6.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -120.68 -33.09 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 63.35 103.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -99.39 -34.0 10.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -157.31 128.78 6.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -78.01 138.28 38.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.69 103.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.12 162.13 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -145.0 -1.43 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -104.13 122.35 45.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -112.21 -20.16 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.62 146.16 96.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.37 162.25 43.05 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.431 2.087 . . . . 0.0 112.201 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.83 100.06 17.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.9 -6.84 19.1 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.354 2.036 . . . . 0.0 112.384 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 25' ' ' VAL . 82.9 m 65.44 147.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.374 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m 61.46 -99.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 23' ' ' CYS . 27.2 m 39.43 -155.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.657 0.383 . . . . 0.0 111.831 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -162.63 19.6 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -54.79 -50.27 86.9 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.455 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.35 -30.65 5.15 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.405 2.07 . . . . 0.0 112.037 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -34.9 78.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.277 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.67 -42.38 82.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.06 -46.03 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.42 -41.31 98.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 37' ' ' ILE . 33.8 ttp180 -61.34 -53.75 52.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.36 -39.34 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -59.06 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.818 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.02 -43.02 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.58 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 80.3 mt -59.29 -39.54 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.3 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -70.03 -73.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.511 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -150.48 19.26 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.725 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -67.81 -111.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.495 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 63.95 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -131.06 -13.33 3.56 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -54.92 156.46 3.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.0 22.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.143 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -114.5 13.78 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p -130.6 -6.85 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -62.11 -22.4 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.67 -44.8 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.9 -38.57 76.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.08 -55.72 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.228 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.29 -46.18 86.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.2 -43.3 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.44 -51.36 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.304 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.34 -38.02 87.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.974 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.21 -56.19 25.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.962 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 mtp -62.04 -33.62 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.93 -24.71 75.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.957 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -64.93 -54.69 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.794 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.07 -6.33 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.61 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -144.8 130.15 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -90.82 99.69 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.957 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 70.1 t 62.51 129.04 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.674 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 24.7 Cg_exo -63.25 126.11 17.14 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.477 2.118 . . . . 0.0 112.271 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.8 p -70.11 139.64 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.62 -57.43 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.042 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m 61.71 15.17 6.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -134.22 -25.68 1.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.763 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 t -74.73 138.59 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.92 151.2 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.93 137.03 19.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -139.92 4.77 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -87.68 112.39 22.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.714 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 61.19 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -124.26 164.59 19.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -91.34 110.73 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -85.2 118.9 25.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -137.85 10.68 2.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.93 179.59 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.268 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.09 179.32 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.14 -179.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 57.48 94.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.59 166.28 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.61 135.47 86.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.62 -171.04 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.613 2.208 . . . . 0.0 112.301 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -122.74 122.68 27.11 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.29 142.18 14.85 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.475 2.117 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.31 -40.96 7.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -132.08 -82.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG13 ' SD ' ' A' ' 58' ' ' MET . 30.7 t 63.0 156.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.031 0.444 . . . . 0.0 111.39 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.4 m -103.38 122.44 44.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.981 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 64.7 mttp -78.61 -49.6 1.67 Allowed Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.739 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 38.0 Cg_endo -65.17 -36.86 34.76 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.178 1.919 . . . . 0.0 112.606 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -62.17 -31.12 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -72.26 -41.11 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -64.49 -47.88 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.0 -44.45 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -58.98 -54.89 42.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.696 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.64 -39.96 65.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -66.61 -32.16 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.776 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -69.79 -52.2 27.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.72 -35.1 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 38' ' ' LEU . 1.6 tm? -71.3 -41.36 70.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.55 -69.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.348 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.21 -59.96 2.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.785 0.326 . . . . 0.0 111.405 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.95 -158.37 27.63 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.367 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -88.83 -23.22 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.69 15.04 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.0 p -59.49 138.94 57.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 41.1 tt0 -144.64 -23.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.8 m -103.04 27.71 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 54.0 tttm -64.75 -10.33 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.15 -44.21 61.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.28 -40.11 93.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.59 -58.21 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.68 -42.43 67.95 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.74 -36.24 82.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.77 -39.9 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.61 -46.9 86.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.09 -50.6 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.4 t -54.21 -42.62 69.99 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.522 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 84.7 mmm -62.03 -46.41 89.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.9 ttmp? -55.52 -35.94 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.713 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.4 -48.66 61.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -102.21 41.18 1.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 110.999 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.04 97.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 53.8 p90 -68.86 149.19 49.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.95 -13.6 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.2 p -96.12 134.43 23.75 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.956 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.6 128.08 27.89 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.375 2.05 . . . . 0.0 112.419 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.4 p -137.45 -14.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 64.89 135.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.372 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.868 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 3' ' ' GLU . 5.3 t -135.62 -16.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 2' ' ' THR . 44.2 mt-10 -119.43 -179.14 3.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.798 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m 58.54 96.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -139.59 21.66 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.262 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -71.17 154.31 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.99 -175.17 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 59.69 99.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -118.08 136.42 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 5.3 pm0 -86.45 159.58 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 65.11 144.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.96 165.21 13.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.2 m80 60.56 103.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.07 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.84 144.16 29.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.4 t -149.59 10.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -88.2 115.04 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 t70 60.23 102.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.383 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.79 134.28 19.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.23 141.11 42.49 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.392 2.061 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -133.62 147.56 65.05 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.89 104.16 1.87 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.089 . . . . 0.0 112.492 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -147.79 -40.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.762 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 26' ' ' CYS . 24.4 p -91.41 -179.45 5.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.646 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 25' ' ' VAL . 13.5 t 68.15 -6.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.339 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 85.0 m 54.78 86.58 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.592 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.6 mptm? -83.05 -51.98 0.65 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 64.8 Cg_endo -72.62 -43.1 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.27 1.98 . . . . 0.0 112.29 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 1.9 mp0 -57.12 -33.99 67.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.86 -46.85 87.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.98 -32.94 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.654 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.43 -56.68 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.754 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.22 -39.77 83.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.35 -41.02 96.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -64.8 -44.84 88.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.53 -46.21 87.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.51 -25.08 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.32 -43.68 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.362 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -83.81 -59.76 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.638 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -65.66 -59.5 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.223 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.1 -177.36 20.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.97 142.44 53.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.564 0.221 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 68.58 -72.23 0.1 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.987 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.1 t 58.09 95.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.89 -4.0 57.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -80.67 -42.94 21.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -119.61 77.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -87.52 -9.54 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.14 -46.55 75.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.95 -30.75 71.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -67.88 -55.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -26.82 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.05 -51.75 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -66.41 -31.52 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.01 -49.87 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.15 -49.57 71.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 12.1 tpt -62.82 -42.36 99.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -65.77 -22.73 66.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.581 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.47 -37.81 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.759 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.8 8.67 40.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.694 0.283 . . . . 0.0 111.262 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.71 -119.12 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.681 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' MET . 25.7 p90 -132.59 -173.08 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.634 0.254 . . . . 0.0 110.802 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.56 177.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.894 0.378 . . . . 0.0 111.042 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.42 134.63 85.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.86 115.6 2.23 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.669 2.246 . . . . 0.0 112.234 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.9 p -102.43 -64.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.45 -77.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.228 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.071 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -99.74 -15.24 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -116.38 -37.21 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 p -104.71 132.85 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -140.16 3.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -134.21 151.3 51.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 8' ' ' GLN . 62.4 tttp -135.97 153.45 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.562 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 78.8 mt-30 60.95 100.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -116.86 -40.5 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.83 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' H ' ' H ' ' A' ' 11' ' ' GLU . 12.2 pt20 -163.17 -20.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' H ' ' H ' ' A' ' 10' ' ' GLN . 11.7 pt-20 -70.48 -16.36 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -108.57 126.92 53.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.76 126.32 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.42 147.93 33.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 59.46 -176.11 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -120.87 118.32 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -73.01 155.59 39.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.47 -57.33 5.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -136.93 134.43 19.14 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.56 134.84 31.74 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.253 1.969 . . . . 0.0 112.149 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 tttp 65.3 80.72 0.23 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.417 ' HG2' ' H ' ' A' ' 23' ' ' CYS . 42.9 Cg_endo -68.25 -69.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.389 2.059 . . . . 0.0 112.536 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 22' ' ' PRO . 86.4 m 58.68 23.32 10.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.14 172.55 13.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.4 m 42.34 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.063 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 m -152.58 100.9 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 27.8 ttpp -68.81 -46.86 33.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.461 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 51.5 Cg_exo -53.87 -36.63 83.74 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.184 1.923 . . . . 0.0 112.833 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 9.2 tp10 -59.86 -39.9 86.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.701 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.64 -35.07 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.08 -56.42 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.44 -36.21 73.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -62.73 -53.77 49.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.73 -35.41 72.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -62.7 -52.04 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -59.86 -39.87 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.05 -28.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.35 -50.61 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.756 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -69.22 -60.62 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.708 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.51 -59.52 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.492 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.05 177.27 14.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.744 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -73.07 143.58 47.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.708 0.29 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 58.76 98.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -163.08 144.2 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.32 3.18 21.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.43 -14.96 18.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.01 -1.85 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -67.43 -17.14 64.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.03 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.28 -47.69 69.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -68.35 -32.32 72.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.01 -53.16 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.37 -37.63 87.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.59 -47.92 81.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.056 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 64.2 t80 -68.61 -32.78 72.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -66.69 -48.52 69.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.316 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.5 -40.28 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.65 -41.68 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.511 ' HG3' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -71.8 -43.91 64.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.715 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.36 -28.14 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.7 -47.12 92.75 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.64 -63.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.87 -121.12 0.69 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.62 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -149.45 115.57 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 40.65 -94.96 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -132.39 132.23 22.74 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD3' ' HG3' ' A' ' 58' ' ' MET . 57.0 Cg_endo -70.63 134.19 25.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.38 2.053 . . . . 0.0 112.554 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -123.8 -22.01 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.988 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.93 -54.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.897 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.773 0.321 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 1' ' ' MET . 57.5 p -121.32 -67.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.245 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 60.33 -85.0 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -140.73 -14.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.73 133.93 42.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -160.42 153.07 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG2' ' HG2' ' A' ' 8' ' ' GLN . 40.7 ttmt -148.61 130.17 14.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 18.6 mm-40 55.51 82.01 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -137.28 7.87 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.11 -69.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.02 10.67 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.46 110.84 22.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -132.36 169.38 16.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.9 175.94 0.09 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -151.38 135.94 17.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.79 14.8 4.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.36 142.78 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 t70 61.62 9.2 2.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 39.7 ttpt 57.34 93.46 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 33.4 Cg_endo -64.17 124.45 13.47 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.428 2.085 . . . . 0.0 112.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -153.2 149.01 20.72 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.0 130.67 37.64 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.51 2.14 . . . . 0.0 112.186 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.1 m -139.74 -7.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -163.27 -177.32 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG21 ' HE3' ' A' ' 27' ' ' LYS . 12.5 m 42.74 -163.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.039 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.3 m -142.32 100.12 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.775 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 35.8 mmtp -84.66 -49.38 0.62 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.765 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 57.5 Cg_endo -69.51 -30.52 23.29 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.914 1.743 . . . . 0.0 112.43 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.39 -37.36 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -64.08 -40.42 96.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.54 -43.29 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.5 -49.12 78.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -57.14 -50.53 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.738 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.0 -35.59 71.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -63.6 -47.36 81.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.83 -40.69 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.6 mt -69.47 -27.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 tp -76.47 -41.22 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -82.17 -65.53 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.599 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -65.47 -54.42 28.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.999 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.01 -163.22 22.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.592 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -115.03 -5.09 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.93 -43.0 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.7 m -67.04 101.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.741 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 62.5 4.22 1.29 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 49.8 19.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.039 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m 49.78 31.81 4.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.001 0.429 . . . . 0.0 110.569 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -57.59 -22.8 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.657 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.85 -50.59 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 111.089 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -71.24 -31.62 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.16 -53.99 25.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.56 -37.26 86.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -61.53 -48.14 82.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.928 0.394 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.63 -49.75 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.446 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.98 -39.65 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.524 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.36 -37.41 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -75.17 -47.27 29.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.32 -18.36 65.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.63 -18.62 75.85 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.803 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.52 8.27 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 0.189 . . . . 0.0 111.437 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.74 -124.67 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.269 -0.967 . . . . 0.0 113.048 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -100.17 170.26 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.679 0.276 . . . . 0.0 110.588 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 35.3 tt0 -52.66 163.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 5.3 p -48.6 133.44 13.7 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.01 117.36 3.49 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -100.82 -50.75 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.09 -42.92 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.887 -179.759 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 t -135.32 -24.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -156.33 101.58 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.658 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.4 p 52.95 -169.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -156.93 106.87 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.88 -76.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 tttp 57.6 21.44 7.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -85.02 5.71 28.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -119.56 13.33 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -142.63 -30.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.9 119.72 11.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -81.35 147.64 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -92.49 145.39 24.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.95 -58.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.413 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -108.67 -176.94 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.157 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -77.81 141.38 39.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.69 4.71 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.51 -29.84 62.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.578 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -120.04 78.1 24.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.719 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.38 117.38 4.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.577 2.185 . . . . 0.0 112.419 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -170.2 72.19 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -81.34 94.72 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.56 2.173 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.7 m -147.35 51.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.9 m 60.81 103.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 t -119.55 150.08 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -174.35 30.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.2 mttm -60.83 -48.61 92.39 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.409 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -67.42 -38.74 14.14 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.214 1.943 . . . . 0.0 111.823 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -37.59 87.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.036 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' HH21 ' A' ' 33' ' ' ARG . 24.1 tptm -72.0 -30.97 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.12 -48.67 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.7 -45.4 86.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 HH21 ' HE3' ' A' ' 30' ' ' LYS . 32.1 ttp180 -60.45 -54.5 44.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.954 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -52.87 -56.91 12.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.92 -43.11 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.76 -53.78 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.9 -42.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.32 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -73.82 -70.69 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -150.82 3.63 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.491 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.07 19.27 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -70.65 -48.07 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.26 -8.99 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -72.33 139.53 48.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -103.65 13.01 34.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -94.02 15.65 16.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 23.6 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.935 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD2' HD12 ' A' ' 51' ' ' ILE . 31.9 mmmt -67.96 -10.01 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.52 -47.29 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -66.91 -37.21 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.463 HD12 ' HD2' ' A' ' 48' ' ' LYS . 52.2 mt -65.58 -50.1 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -62.84 -43.93 97.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.76 -38.8 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.16 -41.45 73.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.833 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -63.59 -44.16 94.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.962 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.74 -35.58 75.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.07 -55.02 39.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.1 ttm -65.84 -39.23 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -67.71 -22.26 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.2 -52.98 49.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.198 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -70.58 -14.96 62.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 73.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.566 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -150.9 105.16 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.541 0.21 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.54 149.11 17.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.058 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.77 83.22 7.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.633 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -88.23 -1.93 6.96 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.718 2.279 . . . . 0.0 111.567 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 t -72.65 -27.67 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.9 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.4 p -82.55 -40.29 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.34 104.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.417 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -129.57 144.21 51.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.03 -29.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 59.55 13.35 3.28 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HG2' ' H ' ' A' ' 8' ' ' GLN . 14.1 ttmm 59.76 -175.54 0.1 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 77.4 mt-30 -78.41 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -135.76 -17.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.236 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.53 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 52.4 mt-30 60.65 -172.7 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.95 -49.17 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -101.21 141.86 33.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.91 154.91 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.08 102.78 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -118.85 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.692 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -103.13 138.16 40.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -125.01 133.72 52.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -131.95 132.61 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -143.57 94.04 6.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.07 174.23 10.95 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.489 2.126 . . . . 0.0 112.272 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -131.12 82.52 63.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.44 151.78 29.58 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.6 m -78.03 -66.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.6 m -131.44 -77.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.697 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.679 HG12 ' H ' ' A' ' 27' ' ' LYS . 11.1 t 63.45 154.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.229 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.3 p -121.08 22.55 10.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' H ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -60.46 -52.1 75.29 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 87.2 Cg_endo -78.38 -26.9 5.7 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.187 1.924 . . . . 0.0 112.323 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.12 -42.86 91.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.546 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.15 -48.58 80.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.61 -41.47 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.27 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.81 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.94 -49.58 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.6 -37.15 86.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -64.61 -36.14 83.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -70.5 -48.15 57.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.72 -30.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -84.43 -55.34 4.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.667 0.27 . . . . 0.0 111.325 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.25 -37.16 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -83.75 -58.31 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.53 37.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.546 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 58.54 -178.14 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.863 0.363 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 55.84 19.61 3.62 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -127.6 86.7 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 59.16 8.54 1.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm 47.12 31.1 1.52 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.537 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.5 p 42.68 36.86 0.89 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.592 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -50.38 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.89 -38.02 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.387 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.58 -56.32 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.682 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.92 -43.15 86.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.49 -31.87 71.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.462 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.05 -52.84 45.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.81 -42.01 78.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.32 -39.95 89.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.99 -54.06 51.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.3 mtp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.702 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -59.92 -45.32 92.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.114 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -20.0 72.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.905 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.425 ' HD2' ' H ' ' A' ' 25' ' ' VAL . 40.1 t80 -56.56 -56.8 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.08 20.74 0.13 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.259 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -160.79 131.92 5.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.95 -172.26 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.4 p -116.7 77.95 8.61 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 111.25 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.06 -18.74 6.08 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.649 2.233 . . . . 0.0 112.077 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.8 p -61.14 144.68 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.3 -55.35 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.04 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.812 0.339 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.4 m -145.35 137.0 25.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.967 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.97 139.82 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.4 m -108.21 101.78 10.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -158.81 -21.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -67.05 117.13 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp 61.45 104.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -131.16 151.0 51.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.25 -42.46 91.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -109.16 112.11 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.987 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -160.27 98.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.774 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.7 t30 58.79 98.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 59.85 99.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.181 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.85 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.058 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -65.71 159.78 24.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.024 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.3 m 61.55 108.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.238 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' A' ' 19' ' ' LYS . 35.5 tt0 -147.32 113.32 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.92 25.86 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.992 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' A' ' 17' ' ' GLU . 32.2 mmtp 52.04 79.83 0.33 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.44 29.54 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.661 2.241 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -158.43 122.12 2.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -88.0 20.28 1.2 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.763 2.308 . . . . 0.0 112.687 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.8 m -86.14 18.19 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.54 175.57 5.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.673 HG12 ' H ' ' A' ' 27' ' ' LYS . 17.3 t 66.28 154.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.197 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -140.45 20.93 2.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.673 ' H ' HG12 ' A' ' 25' ' ' VAL . 4.3 ttmp? -55.6 -50.42 87.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 60.7 Cg_endo -71.23 -23.3 24.55 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.108 1.872 . . . . 0.0 112.529 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.08 -36.68 84.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.23 -43.49 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.801 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.44 -42.17 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD2' HG12 ' A' ' 51' ' ' ILE . 52.4 ttp180 -60.08 -51.39 69.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.39 -34.03 75.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -67.37 -34.93 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -69.06 -48.86 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.351 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -35.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.32 -39.1 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -62.94 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.134 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.8 -59.21 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.082 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.65 -88.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 pp0? -175.37 161.0 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 67.57 -6.84 0.62 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.572 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 46' ' ' LYS . 72.0 p -93.89 91.39 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.726 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 64.9 -2.67 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.394 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 44' ' ' SER . 44.5 mtpt 44.12 31.05 0.49 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.953 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.0 p 41.8 43.39 2.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -54.13 -22.52 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.595 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.09 -50.49 54.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.1 -40.41 71.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.431 HG12 ' HD2' ' A' ' 33' ' ' ARG . 64.8 mt -60.77 -55.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.46 -44.86 89.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -58.06 -33.51 69.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.26 -44.1 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.38 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.27 -52.44 63.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.155 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.3 t -56.58 -32.93 65.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 tpt -78.43 -30.5 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.67 -43.72 92.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.392 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -16.2 79.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.267 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.26 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.64 0.257 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.38 -8.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.95 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -148.96 137.6 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.88 -170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.95 76.46 73.72 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.014 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.11 -10.68 10.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.714 2.276 . . . . 0.0 112.28 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 t -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.15 104.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.566 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.947 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.7 m -75.14 -52.99 9.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.39 -30.46 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.223 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -99.94 147.59 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.41 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -106.57 -17.36 14.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 62.0 106.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -137.49 -25.86 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -86.97 107.14 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -132.37 -11.66 3.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -103.73 150.78 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.63 136.78 50.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.97 -7.62 57.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -104.35 126.75 51.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.88 -36.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.987 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 59.58 98.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -128.89 162.44 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.05 -29.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.63 122.51 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -91.3 147.92 36.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.57 28.29 0.45 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.571 2.181 . . . . 0.0 112.577 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -124.83 131.55 24.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.97 111.99 3.41 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.384 2.056 . . . . 0.0 112.121 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -97.19 -19.04 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.5 m -143.46 112.81 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' SG ' ' A' ' 26' ' ' CYS . 27.5 m -75.43 -165.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.988 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.3 m 67.51 41.13 2.43 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.39 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 59.9 tttm -68.65 -53.53 15.93 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.024 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 93.7 Cg_endo -78.92 -26.83 5.11 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.214 1.943 . . . . 0.0 112.389 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.87 -28.21 67.34 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.308 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 26' ' ' CYS . 97.9 mttt -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.607 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.98 -41.32 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.58 -47.09 76.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.173 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -62.39 -49.11 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.53 -49.99 75.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 m -61.38 -31.04 70.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.9 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.76 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.82 -29.96 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -82.0 -30.39 31.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.67 -62.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.113 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -73.84 -58.75 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.51 -172.0 32.34 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.472 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.76 113.51 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.607 0.242 . . . . 0.0 110.77 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 58.42 95.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -69.17 172.63 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.972 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 43.6 mt-10 -133.32 -8.17 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -122.07 -15.2 7.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.5 m -118.63 38.11 3.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 45' ' ' GLU . 62.8 mttm -74.48 -9.33 58.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.81 -46.97 77.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -63.87 -40.63 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.29 -58.0 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -32.47 68.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -69.41 -34.41 74.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -68.08 -46.69 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.96 -52.39 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -56.97 -51.52 68.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 51.8 t -53.67 -45.22 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.81 -39.34 88.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.952 0.406 . . . . 0.0 110.247 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.34 -25.15 64.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.264 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.43 -40.99 96.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.642 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -37.21 71.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.622 0.249 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.81 -19.17 1.62 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.903 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -151.63 132.09 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -63.92 -176.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.731 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.71 152.97 23.69 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.36 121.96 9.32 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.447 2.098 . . . . 0.0 112.415 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.9 m -91.26 -32.53 15.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.09 116.04 7.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.946 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p -122.93 142.46 50.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.327 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -159.04 122.12 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.3 m 65.08 124.81 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 63.07 115.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -87.8 22.59 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 62.44 98.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.06 162.49 24.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -129.59 146.59 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -150.16 -5.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.0 111.04 3.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 56.98 96.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.217 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -82.85 139.32 33.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.36 125.68 5.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.409 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -121.52 -9.27 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' H ' ' H ' ' A' ' 17' ' ' GLU . 47.4 t -167.18 -7.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.706 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' A' ' 16' ' ' CYS . 42.4 tt0 -166.03 116.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -79.92 -71.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.015 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -151.66 149.27 23.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.14 -170.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.551 2.168 . . . . 0.0 112.419 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -113.75 102.72 55.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.739 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.44 112.35 2.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.332 2.021 . . . . 0.0 112.283 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 87.9 m -145.35 -42.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -174.35 80.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -151.9 143.75 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.59 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -149.64 68.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 31.8 mmtp -73.02 -49.72 7.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.773 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 36.3 Cg_exo -57.75 -45.24 34.41 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.922 1.748 . . . . 0.0 112.201 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.42 -40.32 81.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -70.05 -28.18 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.32 -51.24 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.47 -38.89 91.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -66.19 -50.44 63.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -55.79 -46.84 77.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.57 -43.52 89.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.7 t -58.18 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.82 -31.67 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.06 -40.84 82.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -91.27 -66.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.84 -59.36 3.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.21 -178.38 17.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.555 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -102.03 -9.73 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -90.94 0.78 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 t -64.88 156.13 31.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.713 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -124.61 -25.39 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -7.39 47.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.2 m -105.16 10.19 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.795 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -65.61 -10.89 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.58 -40.99 76.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.706 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -66.32 -33.52 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.256 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.17 -56.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.89 -34.1 71.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.8 -46.61 84.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.27 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -66.44 -28.99 69.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.111 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.5 -53.26 44.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.02 -39.78 83.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.22 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -73.95 -40.3 63.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -70.76 -22.49 62.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.481 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.18 -51.84 55.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -70.66 -43.19 69.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.37 63.5 0.05 OUTLIER Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.992 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -172.62 147.05 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.293 . . . . 0.0 110.7 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.09 -86.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.4 t -143.12 136.09 13.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -44.29 113.66 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.979 2.453 . . . . 0.0 112.652 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 t -61.99 137.6 58.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.04 2.6 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.854 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -152.32 162.57 40.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.46 -2.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.075 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.9 p -89.19 -17.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -94.6 154.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -83.19 4.86 24.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -104.63 139.98 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -89.35 110.74 21.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 63.99 117.72 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.337 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.05 121.81 40.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.67 167.39 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.15 134.41 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m80 58.79 -177.89 0.08 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.78 -42.41 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 58.73 101.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.304 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 t -119.87 -7.83 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -74.96 -43.28 54.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.7 115.57 26.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -110.47 123.12 36.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.38 119.43 6.34 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.291 1.994 . . . . 0.0 112.221 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HD2' HG11 ' A' ' 25' ' ' VAL . 4.1 tmtp? -137.88 88.78 15.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.98 -160.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.626 2.218 . . . . 0.0 112.308 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m 62.49 177.16 0.14 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HB2' ' HG2' ' A' ' 58' ' ' MET . 23.4 p -77.07 132.29 38.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 21' ' ' LYS . 3.5 m -143.7 110.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.595 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.3 m -154.85 84.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.442 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 58.7 tptt -84.18 -50.43 0.62 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.315 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 71.2 Cg_endo -74.26 -37.82 2.38 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.04 1.826 . . . . 0.0 112.326 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -36.92 85.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.47 -43.91 92.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.34 -41.54 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -61.75 -46.2 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.04 -54.09 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.7 m-20 -57.22 -59.5 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 m -50.91 -30.97 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.16 -42.84 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.39 -29.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.5 mm? -83.64 -30.7 26.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.297 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -82.95 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -68.0 -55.42 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 172.63 12.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.503 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -99.85 -2.5 34.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.715 0.293 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -109.99 -3.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 46.6 t -77.99 158.85 29.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.53 -26.32 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 10.5 mmpt? -77.05 -7.67 56.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 44' ' ' SER . 31.5 p -95.52 3.34 54.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.71 -17.42 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.4 -41.4 96.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.808 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -68.81 -36.4 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.96 -54.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.61 -36.32 78.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.496 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.94 -39.6 95.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.54 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -71.14 -32.37 68.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG3' HG21 ' A' ' 65' ' ' VAL . 23.9 ttmm -64.83 -51.3 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.203 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.18 -40.37 67.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.602 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 -40.71 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.329 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 24' ' ' CYS . 2.8 ttp -76.86 -41.79 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -69.21 -18.41 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.13 -27.59 70.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.33 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.98 -2.39 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -140.97 3.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -174.9 138.48 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.716 0.293 . . . . 0.0 110.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -166.87 -26.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 55' ' ' LYS . 28.8 m -60.06 150.08 71.79 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.275 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.75 153.31 59.19 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.453 2.102 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.4 p -136.2 116.91 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.28 159.77 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.023 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.885 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.7 m -110.43 129.76 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.75 -64.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -74.5 121.45 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -156.47 -0.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -77.21 136.0 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.805 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 9.8 mtmp? -105.72 -20.57 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 59.35 16.98 5.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -79.42 -34.56 41.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.02 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -123.13 138.96 54.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -150.54 105.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -147.71 -39.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.88 10.15 2.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.88 108.43 19.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.984 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 60.8 179.25 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m -102.04 -6.08 23.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -110.52 117.27 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -96.11 -57.48 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.82 150.92 71.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.14 93.44 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.507 2.138 . . . . 0.0 112.274 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -144.75 124.06 7.02 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.06 110.02 3.0 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.291 1.994 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -166.89 149.4 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m 58.18 -175.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m 43.8 -166.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.173 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 p -172.33 14.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 75.5 mmtt -54.89 -52.3 71.91 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.504 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 73.5 Cg_endo -74.26 -25.51 13.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.156 1.904 . . . . 0.0 112.239 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -27.64 68.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.41 -39.74 70.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.08 -42.8 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -64.88 -51.83 59.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.58 -49.42 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.394 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.34 -46.49 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.3 m -59.32 -36.93 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.248 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.75 -53.5 26.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.5 mt -62.23 -24.34 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -86.65 -30.71 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.31 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -83.69 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.939 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.86 -56.19 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.11 -158.18 23.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.68 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -115.2 -22.54 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.94 -1.23 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -79.46 152.31 30.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.4 -15.09 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.961 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -91.02 -23.68 20.3 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -65.96 -13.3 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.069 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 95.6 mttt -69.17 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.51 -50.65 68.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -61.9 -37.77 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' LYS . 55.0 mt -62.34 -47.05 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.59 -40.07 90.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -60.23 -46.86 88.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.599 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.95 -28.58 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.65 -52.43 25.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.268 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.47 -40.27 92.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.51 -52.65 63.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -33.82 74.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.74 -33.05 48.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.526 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.91 -34.69 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.69 40.65 1.08 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -154.41 138.41 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 178.55 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.042 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 t -119.43 79.31 20.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.92 -17.16 7.1 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.644 2.23 . . . . 0.0 112.116 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -95.25 144.54 25.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.13 -43.26 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.837 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tmm? . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.5 p -119.41 145.48 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -153.44 150.01 28.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m 60.6 104.81 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.2 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -130.28 119.58 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -104.54 133.46 49.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -116.78 -40.94 3.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 57.11 47.76 16.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.557 ' HG3' ' HG2' ' A' ' 10' ' ' GLN . 8.6 tp10 64.12 -84.46 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HG2' ' HG3' ' A' ' 9' ' ' GLU . 19.1 pt20 -166.72 61.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -93.31 -64.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 55.15 96.1 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.01 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -96.29 -62.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.66 -67.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -77.79 110.69 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -169.08 146.04 3.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 60.7 -179.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.27 138.19 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 52.75 82.04 0.25 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.273 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.61 26.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.585 2.19 . . . . 0.0 112.366 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -131.61 79.47 68.81 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.0 32.85 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.8 2.333 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.1 m 62.62 -82.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.2 p -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.821 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 25' ' ' VAL . 15.6 t -95.12 -3.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.996 0.427 . . . . 0.0 110.989 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 43.2 m -67.54 86.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 31.4 mmmt -87.16 -50.45 0.44 Allowed Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.413 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 68.9 Cg_endo -73.07 -24.61 17.0 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.909 1.74 . . . . 0.0 112.352 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 13.3 mm-40 -68.02 -37.33 81.27 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.87 -30.69 65.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.5 -47.69 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.06 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.19 -41.95 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -45.63 90.17 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.81 -55.7 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -52.4 -38.35 58.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.62 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.62 -44.55 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.439 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.41 -48.29 87.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.322 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.73 -36.34 80.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.26 -67.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -155.17 9.53 0.3 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.468 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.24 48.58 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.706 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -107.66 -41.76 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.605 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -133.63 5.95 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -98.6 120.9 39.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.63 8.97 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -86.09 -2.93 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.1 13.64 16.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.77 -9.97 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.67 -48.54 79.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -62.73 -35.43 79.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.49 -48.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -60.41 -46.65 89.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -62.46 -32.72 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.411 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.13 -42.79 83.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.87 -48.63 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.26 -52.86 62.96 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.672 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.85 -35.1 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.521 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.402 ' SD ' ' HA ' ' A' ' 24' ' ' CYS . 12.2 tpt -70.69 -42.42 70.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.76 -27.42 68.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.233 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.58 97.18 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -79.64 -20.83 45.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.752 0.276 . . . . 0.0 110.954 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.62 135.68 4.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.18 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 34.0 t80 64.07 159.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.097 0.475 . . . . 0.0 111.554 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.48 -170.06 1.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.32 131.72 75.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.034 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.9 108.21 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.311 2.007 . . . . 0.0 112.309 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -102.72 -57.95 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 61.31 103.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.821 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tmm? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -88.05 121.71 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.85 -18.87 19.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p 54.48 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.809 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.09 -38.26 9.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.99 92.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -143.37 3.87 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -161.25 135.85 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.97 123.01 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.14 140.88 31.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -154.78 -45.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 58.11 -174.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 m80 58.82 -172.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.06 -80.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.38 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -156.84 104.2 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -144.24 13.17 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -89.33 -42.7 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -69.14 127.62 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -128.87 107.63 18.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.29 117.47 4.17 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.424 2.083 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -138.47 96.89 9.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.35 143.99 49.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.47 2.113 . . . . 0.0 112.389 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.49 -14.65 59.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.24 107.53 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.18 -12.82 10.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -94.54 21.09 7.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.047 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 63.6 tttm -52.05 -52.27 63.51 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 91.4 Cg_endo -78.82 -33.64 1.54 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.121 1.881 . . . . 0.0 112.302 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.69 -26.43 68.66 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.391 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.24 -41.69 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.407 . . . . 0.0 110.636 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.72 -40.5 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.24 -49.92 65.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.162 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.81 -47.82 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.94 -50.84 71.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -54.22 -49.05 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.993 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.07 -53.62 54.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.21 -18.8 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 tp -83.15 -30.92 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.329 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.13 -4.12 24.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.625 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.77 -35.89 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 111.036 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.16 158.99 32.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -69.78 -179.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 63.81 5.95 2.51 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -66.97 121.88 16.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 44.9 mt-10 -103.86 13.17 33.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' HD3' ' H ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.8 1.16 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.0 m -130.42 15.82 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.8 mtpm? -65.46 -9.42 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.76 -49.27 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.363 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.35 -36.53 84.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.577 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.56 -41.17 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.75 -46.78 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -63.91 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -71.39 -45.58 62.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.4 -46.72 87.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.41 -44.95 77.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.7 t -54.73 -43.09 72.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.459 ' HE1' ' H ' ' A' ' 64' ' ' GLU . 1.3 ttp -72.29 -35.55 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -72.34 -16.64 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.34 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.48 -53.15 36.84 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.84 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -84.06 -10.92 57.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.67 138.08 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.768 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.95 147.52 53.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' H ' ' HE1' ' A' ' 58' ' ' MET . 0.6 OUTLIER -162.2 -57.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.847 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.07 132.71 87.37 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.22 149.23 75.88 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.235 1.956 . . . . 0.0 112.263 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -133.97 -24.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.0 -41.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.91 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -113.7 -10.5 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -136.84 113.17 9.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m 64.77 143.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.491 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.3 t70 64.89 157.22 0.09 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.356 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' HB2' ' NE2' ' A' ' 8' ' ' GLN . 18.6 ptpt -128.96 161.94 28.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.609 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -91.66 -5.41 53.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.355 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 6' ' ' LYS . 1.1 mp0 -68.51 148.7 50.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.781 0.324 . . . . 0.0 110.782 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 102.3 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.596 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 30.0 tt0 -162.13 131.89 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 10' ' ' GLN . 14.4 mm-40 57.47 21.97 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.48 -28.89 69.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -94.12 -170.76 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.39 18.64 6.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.313 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.46 114.23 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.987 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.36 155.34 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.43 102.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.59 169.12 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -81.29 117.3 67.6 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 -179.09 1.23 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.429 2.086 . . . . 0.0 112.504 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -140.42 83.24 15.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.19 30.56 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.884 2.389 . . . . 0.0 112.098 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.54 -55.23 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.415 ' O ' HG22 ' A' ' 25' ' ' VAL . 72.4 m -140.38 -177.81 5.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.115 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 24' ' ' CYS . 10.1 m 44.2 -169.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.404 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 29' ' ' GLU . 13.1 t -157.93 102.97 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 16.1 tppt? -72.75 -48.43 8.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.204 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -58.56 -30.25 91.34 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.317 2.011 . . . . 0.0 113.29 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 12.0 tp10 -61.12 -31.41 71.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.76 -52.05 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.53 -41.54 85.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.71 -42.97 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.33 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.649 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.54 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 m -61.5 -33.37 73.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.58 -45.52 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.0 mt -67.32 -27.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.278 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.17 -30.97 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.223 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -88.53 -68.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -68.29 -15.85 63.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.21 168.44 44.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -80.4 142.02 34.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 55.39 90.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -141.92 7.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.603 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 65.17 5.34 2.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -137.12 1.16 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.4 p -103.62 -1.2 28.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.696 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -87.76 -9.59 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.34 -49.92 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -63.94 -40.63 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.084 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.02 -58.19 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.82 -31.41 69.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.84 -40.08 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.3 t80 -70.44 -37.62 74.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.28 -51.88 64.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.33 -40.63 96.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.543 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 79.3 mmm -64.32 -39.04 93.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.841 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.17 -10.44 86.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -136.59 23.25 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 95.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.21 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 44.7 p90 -60.26 166.45 2.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 0.0 111.42 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -150.88 -42.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.53 149.38 98.16 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.189 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.02 116.96 4.28 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.361 2.04 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -114.02 3.15 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.45 -29.72 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.295 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.86 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.4 p -98.5 1.92 47.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.31 114.27 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -162.54 169.84 19.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -125.09 -40.48 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 57.7 97.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -93.55 -34.04 13.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.629 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 62.4 -83.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.6 178.84 7.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -82.52 155.75 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.299 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 57.64 -94.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -174.2 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.09 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 61.28 102.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.195 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.62 148.13 26.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.24 159.26 18.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.799 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -74.36 137.15 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.75 -9.81 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -86.33 -33.38 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -115.57 87.61 17.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.12 127.05 13.03 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -146.3 89.71 5.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.53 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.59 131.97 15.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.509 2.139 . . . . 0.0 112.331 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 85.9 m -97.96 -51.41 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' O ' HG22 ' A' ' 25' ' ' VAL . 26.8 p -75.46 -162.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 24' ' ' CYS . 12.1 m 44.79 -168.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.232 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -149.29 27.85 0.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 62.9 tttp -53.47 -51.4 76.19 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.446 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 71.6 Cg_endo -75.62 -34.84 3.05 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.098 1.865 . . . . 0.0 112.169 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.19 -24.97 66.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.77 -50.73 48.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.282 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.23 -41.4 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.839 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -61.39 -45.86 92.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -63.95 -49.37 72.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -56.8 -35.63 68.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.1 -51.82 42.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.91 -30.72 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.296 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.29 -31.13 27.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.67 -66.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -75.78 -58.98 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.45 167.95 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.173 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -70.07 145.77 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.753 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.79 93.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -154.96 175.9 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.38 -25.34 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.96 14.34 9.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -124.28 -14.4 6.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -65.68 -21.28 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.12 -46.21 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.269 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -66.8 -36.93 83.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.8 -56.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.52 -40.31 78.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.24 -35.81 82.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.435 . . . . 0.0 110.62 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.3 -35.13 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -68.98 -50.74 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.471 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.31 -46.05 88.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.434 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.9 m -61.73 -45.03 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 tpt -71.89 -22.34 61.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.556 ' HG3' ' HA ' ' A' ' 67' ' ' SER . 60.2 tttm -69.84 -53.75 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.73 -34.52 64.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.95 -27.41 64.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.643 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.99 92.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.591 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -163.83 -144.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -49.3 157.42 0.48 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.563 0.22 . . . . 0.0 110.758 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 66' ' ' PRO . 54.0 t 65.16 137.16 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD2' HG13 ' A' ' 65' ' ' VAL . 74.2 Cg_exo -38.23 103.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.845 2.363 . . . . 0.0 112.81 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.556 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 82.9 p -117.58 -35.93 3.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.77 117.86 4.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.906 . . . . 0.0 110.908 179.899 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -138.23 150.5 46.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.004 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -133.83 -73.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 p 48.95 95.44 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.713 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 62.68 104.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.54 114.83 9.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -133.19 113.91 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -88.42 150.55 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.93 106.89 4.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -101.39 172.19 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 58.6 -89.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.5 t30 64.37 144.39 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 111.318 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -104.76 145.39 30.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.66 -177.37 5.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.18 5.44 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.782 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t 59.85 100.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.69 -48.64 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -145.49 -6.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -95.51 134.08 24.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.91 -179.48 5.23 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.442 2.095 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -152.91 148.03 19.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.57 -72.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.485 2.124 . . . . 0.0 112.289 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.9 t 58.29 15.58 3.49 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.7 p -142.03 -167.65 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 t 65.4 153.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.279 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 91.9 m -140.58 106.23 5.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.712 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.607 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 28.8 mtpp -87.34 -49.95 0.45 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 33.8 Cg_exo -58.27 -37.03 97.03 Favored 'Trans proline' 0 C--N 1.353 0.816 0 C-N-CA 121.908 1.739 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 2.6 mp0 -62.96 -31.48 72.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -69.05 -36.71 77.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.43 -39.77 70.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.687 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.49 -48.41 75.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -62.24 -48.34 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.39 -48.96 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.1 m -61.07 -37.3 82.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.62 -42.47 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.4 -29.94 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.4 mt -75.16 -34.89 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.425 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -94.26 -65.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.399 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.83 -54.34 23.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.26 170.71 13.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.628 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -88.09 -8.06 56.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -90.02 -12.78 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.606 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -69.45 127.6 33.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.28 -22.54 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.728 ' HD3' ' H ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -70.73 -26.04 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.4 m -104.37 24.86 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HD2' HD12 ' A' ' 51' ' ' ILE . 28.6 tptt -66.23 -9.96 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.33 -42.08 73.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.98 -47.52 74.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.491 HD12 ' HD2' ' A' ' 48' ' ' LYS . 97.4 mt -60.81 -53.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.425 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.82 -36.8 75.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.6 -56.99 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.66 -24.04 67.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -66.36 -52.24 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.606 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.69 -45.0 84.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.5 m -57.54 -56.81 17.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.383 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.0 -35.96 78.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.035 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -65.09 -34.76 79.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.9 -28.22 65.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.02 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.61 -42.17 87.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.666 0.27 . . . . 0.0 111.039 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.74 36.56 0.28 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -158.21 138.38 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.4 -162.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.26 67.76 79.1 Favored Pre-proline 0 C--O 1.233 0.221 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.071 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -89.24 -69.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.664 2.242 . . . . 0.0 112.111 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.9 p 48.52 -162.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.462 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.72 15.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.24 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.854 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.5 m -87.93 -36.75 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 58.17 -173.74 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -122.41 145.18 48.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -158.88 -10.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -95.93 123.36 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.05 -30.71 68.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.776 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -69.78 -18.33 63.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.351 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 60.33 103.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -139.89 154.93 47.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.3 -31.08 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -99.98 121.26 41.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -92.41 -19.42 22.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.63 15.56 4.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.281 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.42 151.68 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.6 p -132.98 125.72 30.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -134.2 -177.99 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -119.86 177.71 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -121.46 103.36 41.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.11 158.3 58.33 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.358 2.039 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -109.95 101.01 45.73 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.627 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.39 178.88 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.365 2.043 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.4 m 59.36 92.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.268 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.4 m 57.01 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -157.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m 67.01 13.19 9.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.675 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.8 mttm -60.75 -54.36 55.35 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 93.3 Cg_endo -78.7 -15.8 13.39 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.208 1.939 . . . . 0.0 111.871 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.56 -45.4 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.576 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.54 -34.91 78.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.297 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.81 -53.4 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.42 -33.39 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.319 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 37' ' ' ILE . 51.2 ttp180 -67.4 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.4 t70 -57.19 -54.0 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 m -53.23 -45.54 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.474 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.72 -39.45 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.339 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 33' ' ' ARG . 90.6 mt -69.29 -34.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.523 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.3 mm? -71.47 -37.47 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.729 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -85.42 -57.51 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.59 -56.1 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.81 -162.4 27.42 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -90.87 -39.25 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -115.35 83.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -127.99 139.85 52.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.46 -35.49 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.775 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -87.27 22.08 2.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -125.1 -13.96 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.07 -12.63 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.97 -43.92 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -69.17 -31.35 69.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.36 -57.28 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.14 -41.55 88.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.75 -38.51 91.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.4 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.539 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -61.06 -50.13 74.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.92 -43.24 86.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.802 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.55 -42.6 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -36.8 81.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.022 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.361 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.28 53.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.34 -49.15 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 80.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.66 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -158.03 137.53 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -62.98 -22.26 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.155 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.0 p 37.28 84.71 0.18 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.076 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.99 -14.39 9.83 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.6 2.2 . . . . 0.0 112.495 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -64.17 120.25 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.248 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.38 110.82 3.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.931 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -133.64 143.47 48.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -130.93 122.44 26.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -143.39 109.84 5.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -131.91 124.77 30.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.597 ' HE3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.8 -62.09 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.03 153.89 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -157.45 144.42 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.05 -83.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.257 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -145.32 11.09 1.3 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.101 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 57.14 -171.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -100.34 -42.5 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.8 m80 59.2 100.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.261 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.12 99.46 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -125.0 15.68 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 p -85.69 9.28 16.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.45 103.02 2.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -148.58 118.07 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -128.6 86.26 58.13 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.18 -176.94 3.52 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.523 2.148 . . . . 0.0 111.854 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.5 80.64 4.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.6 146.28 85.2 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.585 2.19 . . . . 0.0 112.146 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.7 p -161.37 169.62 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 p -68.88 112.41 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -129.27 130.56 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 p -172.99 26.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.983 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 62.2 mttp -53.41 -51.39 76.14 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.692 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 50.0 Cg_endo -67.87 -26.49 38.06 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.073 1.849 . . . . 0.0 112.437 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.76 -35.59 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -71.15 -32.89 69.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.87 -49.24 48.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.3 -41.78 93.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.292 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -63.25 -48.95 76.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.662 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.53 -41.72 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.986 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.6 m -60.56 -49.43 77.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.7 t -56.13 -48.63 75.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.09 -23.6 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.4 tp -75.68 -34.59 60.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.52 -64.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -66.06 -59.19 4.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.82 176.45 14.39 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.767 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -100.89 -18.45 16.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -80.36 -16.2 55.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -61.43 161.21 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -106.2 -13.88 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -96.24 1.43 52.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.1 p -95.94 0.14 51.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.2 mtmt -76.95 -10.7 59.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.718 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.33 -49.54 75.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -63.14 -39.33 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 48' ' ' LYS . 75.2 mt -58.89 -53.8 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.65 -37.64 76.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -61.68 -36.34 80.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.275 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -68.18 -45.01 74.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.643 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -57.18 -52.88 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -35.34 80.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 m -55.68 -52.08 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.904 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.1 mtp -74.28 -27.0 60.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.11 -36.84 84.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.29 -48.97 80.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.312 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 88.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.75 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.01 -83.86 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.63 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -154.53 149.81 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.33 -20.4 62.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.7 p 36.92 73.81 0.66 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.664 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -82.07 -8.75 11.93 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.425 2.084 . . . . 0.0 112.234 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -119.5 -79.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.43 -64.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.969 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -107.56 152.29 24.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -150.69 112.13 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.3 p -99.22 168.41 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -136.89 33.59 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.109 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -128.08 15.31 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.72 -68.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -86.04 -29.65 23.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.637 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -76.92 133.15 39.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -151.11 -1.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -127.27 130.82 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -77.77 143.03 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -86.58 170.7 11.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.4 156.84 37.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.14 173.98 7.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.3 m 62.02 169.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.19 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -142.2 138.34 31.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.06 -64.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HE3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.58 86.03 33.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.841 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.55 126.25 13.22 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.371 2.047 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm 65.28 76.74 0.3 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.461 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 69.8 Cg_endo -74.24 0.63 8.24 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.494 2.129 . . . . 0.0 112.675 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -76.25 -20.34 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' HA ' ' HB3' ' A' ' 61' ' ' TYR . 27.8 p -107.67 136.07 48.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 140.21 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.385 . . . . 0.0 111.462 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 p -169.24 20.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -52.79 -48.97 89.16 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.5 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 26.1 Cg_exo -62.82 -38.09 50.88 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.068 1.845 . . . . 0.0 111.972 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.82 77.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.98 -47.02 84.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.629 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.99 -43.9 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.84 -48.38 81.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.38 -52.5 65.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.294 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.77 -40.21 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -61.46 -40.87 96.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.8 -41.02 88.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.73 -33.7 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.91 -30.49 35.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -76.35 -66.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.72 -59.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.11 165.87 13.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -65.16 -29.2 70.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.74 97.26 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.2 t -140.28 12.88 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.39 13.35 5.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -135.71 1.32 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t -99.54 -15.61 18.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -65.26 -19.07 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.31 -48.66 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -67.51 -35.81 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.42 -56.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.672 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.75 -39.31 73.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.04 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.5 -35.29 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.971 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.81 -32.58 71.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.36 -50.53 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.97 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.46 -41.22 96.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.9 m -59.59 -57.38 13.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 tpt -57.86 -38.89 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 63' ' ' PHE . 58.7 tttm -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.64 -6.83 56.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.248 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 98.2 m-85 -123.37 -78.16 0.6 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 117.052 0.426 . . . . 0.0 111.959 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' A' ' 24' ' ' CYS . . . -110.37 -38.42 1.63 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.267 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 59' ' ' LYS . 63.4 t80 66.64 111.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -140.31 -1.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.76 131.74 89.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.94 146.38 68.77 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.469 2.113 . . . . 0.0 112.231 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.2 p -131.73 -49.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 58.72 94.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.845 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 111.455 0.169 . . . . 0.0 111.455 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.35 -30.65 5.15 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.405 2.07 . . . . 0.0 112.037 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -34.9 78.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.277 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.67 -42.38 82.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.06 -46.03 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.42 -41.31 98.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 37' ' ' ILE . 33.8 ttp180 -61.34 -53.75 52.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.36 -39.34 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -59.06 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.818 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.02 -43.02 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.58 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 80.3 mt -59.29 -39.54 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.3 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -70.03 -73.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.511 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.48 19.26 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.725 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -67.81 -111.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.495 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 63.95 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.332 -0.158 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.623 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -62.11 -22.4 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.67 -44.8 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.9 -38.57 76.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.08 -55.72 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.228 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.29 -46.18 86.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.2 -43.3 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.44 -51.36 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.304 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.34 -38.02 87.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.974 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.21 -56.19 25.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.962 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 mtp -62.04 -33.62 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.93 -24.71 75.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.957 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -64.93 -54.69 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.794 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.07 -6.33 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.61 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -144.8 130.15 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -90.82 99.69 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.957 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.1 t . . . . . 0 CA--C 1.534 0.332 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.674 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 64.7 mttp . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 38.0 Cg_endo -65.17 -36.86 34.76 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.178 1.919 . . . . 0.0 112.606 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -31.12 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -72.26 -41.11 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -64.49 -47.88 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.0 -44.45 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -58.98 -54.89 42.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.696 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.64 -39.96 65.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -66.61 -32.16 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.776 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -69.79 -52.2 27.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.72 -35.1 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -71.3 -41.36 70.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.55 -69.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.348 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.21 -59.96 2.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.785 0.326 . . . . 0.0 111.405 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.95 -158.37 27.63 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.367 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.83 -23.22 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 -179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.75 -10.33 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.15 -44.21 61.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.28 -40.11 93.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.59 -58.21 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.68 -42.43 67.95 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.74 -36.24 82.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.77 -39.9 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.61 -46.9 86.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.09 -50.6 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.4 t -54.21 -42.62 69.99 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.522 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 84.7 mmm -62.03 -46.41 89.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.9 ttmp? -55.52 -35.94 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.713 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.4 -48.66 61.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -102.21 41.18 1.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 110.999 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.04 97.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 53.8 p90 -68.86 149.19 49.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.95 -13.6 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.956 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.6 mptm? . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 110.847 -0.057 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 64.8 Cg_endo -72.62 -43.1 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.27 1.98 . . . . 0.0 112.29 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.12 -33.99 67.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.86 -46.85 87.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.98 -32.94 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.654 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.43 -56.68 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.754 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.22 -39.77 83.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.35 -41.02 96.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -64.8 -44.84 88.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.53 -46.21 87.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.51 -25.08 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.32 -43.68 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.362 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -83.81 -59.76 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.638 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -65.66 -59.5 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.223 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.1 -177.36 20.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.97 142.44 53.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.564 0.221 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.463 0.206 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.987 -179.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.949 0.404 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -87.52 -9.54 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.14 -46.55 75.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.95 -30.75 71.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -67.88 -55.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -26.82 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.05 -51.75 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -66.41 -31.52 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.01 -49.87 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.15 -49.57 71.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 12.1 tpt -62.82 -42.36 99.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -65.77 -22.73 66.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.581 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.47 -37.81 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.759 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.8 8.67 40.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.694 0.283 . . . . 0.0 111.262 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.71 -119.12 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.681 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' MET . 25.7 p90 -132.59 -173.08 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.634 0.254 . . . . 0.0 110.802 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.56 177.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.894 0.378 . . . . 0.0 111.042 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 27.8 ttpp . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 51.5 Cg_exo -53.87 -36.63 83.74 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.184 1.923 . . . . 0.0 112.833 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 9.2 tp10 -59.86 -39.9 86.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.701 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.64 -35.07 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.08 -56.42 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.44 -36.21 73.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -62.73 -53.77 49.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.73 -35.41 72.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -62.7 -52.04 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -59.86 -39.87 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.05 -28.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.35 -50.61 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.756 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -69.22 -60.62 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.708 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -65.51 -59.52 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.492 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.05 177.27 14.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.744 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -73.07 143.58 47.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.708 0.29 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.159 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.645 0.259 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -67.43 -17.14 64.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.03 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.28 -47.69 69.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -68.35 -32.32 72.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.01 -53.16 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.37 -37.63 87.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.59 -47.92 81.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.056 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 64.2 t80 -68.61 -32.78 72.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -66.69 -48.52 69.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.316 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.5 -40.28 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.65 -41.68 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.485 ' HE1' ' H ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -71.8 -43.91 64.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.715 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.36 -28.14 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.7 -47.12 92.75 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.64 -63.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.87 -121.12 0.69 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.62 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' H ' ' HE1' ' A' ' 58' ' ' MET . 17.8 p90 -149.45 115.57 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 40.65 -94.96 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.942 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 35.8 mmtp . . . . . 0 CA--C 1.533 0.309 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 57.5 Cg_endo -69.51 -30.52 23.29 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.914 1.743 . . . . 0.0 112.43 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.39 -37.36 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -64.08 -40.42 96.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.54 -43.29 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.5 -49.12 78.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -57.14 -50.53 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.738 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.0 -35.59 71.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -63.6 -47.36 81.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.83 -40.69 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.6 mt -69.47 -27.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 tp -76.47 -41.22 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -82.17 -65.53 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.599 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -65.47 -54.42 28.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.999 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.01 -163.22 22.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.592 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -115.03 -5.09 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 121.001 0.429 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -57.59 -22.8 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.657 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.85 -50.59 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 111.089 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -71.24 -31.62 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.16 -53.99 25.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.56 -37.26 86.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -61.53 -48.14 82.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.928 0.394 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.63 -49.75 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.446 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.98 -39.65 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.524 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.36 -37.41 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -75.17 -47.27 29.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.32 -18.36 65.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.63 -18.62 75.85 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.803 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.52 8.27 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 0.189 . . . . 0.0 111.437 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.74 -124.67 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.269 -0.967 . . . . 0.0 113.048 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -100.17 170.26 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.679 0.276 . . . . 0.0 110.588 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 35.3 tt0 -52.66 163.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 5.3 p . . . . . 0 CA--C 1.532 0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.2 mttm . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -67.42 -38.74 14.14 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.214 1.943 . . . . 0.0 111.823 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -37.59 87.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.036 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' HH21 ' A' ' 33' ' ' ARG . 24.1 tptm -72.0 -30.97 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.12 -48.67 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.7 -45.4 86.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 HH21 ' HE3' ' A' ' 30' ' ' LYS . 32.1 ttp180 -60.45 -54.5 44.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.954 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -52.87 -56.91 12.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.92 -43.11 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.76 -53.78 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.9 -42.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.32 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -73.82 -70.69 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.413 HD22 ' C ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -150.82 3.63 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.491 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.07 19.27 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -70.65 -48.07 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.867 0.365 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD2' HD12 ' A' ' 51' ' ' ILE . 31.9 mmmt -67.96 -10.01 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.52 -47.29 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -66.91 -37.21 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.463 HD12 ' HD2' ' A' ' 48' ' ' LYS . 52.2 mt -65.58 -50.1 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -62.84 -43.93 97.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.76 -38.8 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.16 -41.45 73.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.833 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -63.59 -44.16 94.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.962 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.74 -35.58 75.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.07 -55.02 39.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.1 ttm -65.84 -39.23 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -67.71 -22.26 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.2 -52.98 49.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.198 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -70.58 -14.96 62.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 73.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.566 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -150.9 105.16 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.541 0.21 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.54 149.11 17.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.058 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.633 -179.325 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 111.218 0.081 . . . . 0.0 111.218 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 87.2 Cg_endo -78.38 -26.9 5.7 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.187 1.924 . . . . 0.0 112.323 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.12 -42.86 91.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.546 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.15 -48.58 80.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.61 -41.47 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.27 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.81 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.94 -49.58 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.6 -37.15 86.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -64.61 -36.14 83.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -70.5 -48.15 57.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.72 -30.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -84.43 -55.34 4.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.667 0.27 . . . . 0.0 111.325 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.25 -37.16 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.9 OUTLIER -83.75 -58.31 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.748 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.53 37.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.546 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 58.54 -178.14 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.863 0.363 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.5 p . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.592 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -50.38 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.89 -38.02 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.387 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.58 -56.32 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.682 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.92 -43.15 86.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.49 -31.87 71.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.462 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.05 -52.84 45.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.81 -42.01 78.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.32 -39.95 89.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.99 -54.06 51.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.3 mtp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.702 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -59.92 -45.32 92.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.114 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -20.0 72.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.905 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -56.56 -56.8 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.08 20.74 0.13 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.259 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -160.79 131.92 5.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.95 -172.26 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.4 p . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 111.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 4.3 ttmp? . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 60.7 Cg_endo -71.23 -23.3 24.55 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.108 1.872 . . . . 0.0 112.529 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.08 -36.68 84.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.23 -43.49 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.801 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.44 -42.17 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD2' HG12 ' A' ' 51' ' ' ILE . 52.4 ttp180 -60.08 -51.39 69.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.39 -34.03 75.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -67.37 -34.93 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -69.06 -48.86 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.351 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -35.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.32 -39.1 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -62.94 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.134 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.8 -59.21 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.082 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.65 -88.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.462 HE21 ' HB2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -175.37 161.0 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.464 0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.572 179.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -54.13 -22.52 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.595 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.09 -50.49 54.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.1 -40.41 71.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.431 HG12 ' HD2' ' A' ' 33' ' ' ARG . 64.8 mt -60.77 -55.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.46 -44.86 89.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -58.06 -33.51 69.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.26 -44.1 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.38 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.27 -52.44 63.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.155 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.3 t -56.58 -32.93 65.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 tpt -78.43 -30.5 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.67 -43.72 92.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.392 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -16.2 79.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.267 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.26 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.64 0.257 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.38 -8.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.95 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -148.96 137.6 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.88 -170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.014 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 59.9 tttm . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.009 -0.043 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 93.7 Cg_endo -78.92 -26.83 5.11 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.214 1.943 . . . . 0.0 112.389 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.87 -28.21 67.34 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.308 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.607 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.98 -41.32 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.58 -47.09 76.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.173 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -62.39 -49.11 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.53 -49.99 75.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 m -61.38 -31.04 70.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.9 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.76 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.82 -29.96 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -82.0 -30.39 31.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.67 -62.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.113 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -73.84 -58.75 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.51 -172.0 32.34 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.472 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.76 113.51 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.607 0.242 . . . . 0.0 110.77 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.779 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -74.48 -9.33 58.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.81 -46.97 77.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -63.87 -40.63 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.29 -58.0 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -32.47 68.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -69.41 -34.41 74.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -68.08 -46.69 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.96 -52.39 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -56.97 -51.52 68.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -53.67 -45.22 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.81 -39.34 88.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.952 0.406 . . . . 0.0 110.247 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.34 -25.15 64.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.264 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.43 -40.99 96.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.642 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -37.21 71.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.622 0.249 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.81 -19.17 1.62 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.903 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -151.63 132.09 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -63.92 -176.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.731 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.45 -0.429 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.135 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 31.8 mmtp . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 36.3 Cg_exo -57.75 -45.24 34.41 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.922 1.748 . . . . 0.0 112.201 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.42 -40.32 81.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -70.05 -28.18 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.32 -51.24 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.47 -38.89 91.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -66.19 -50.44 63.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -55.79 -46.84 77.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.57 -43.52 89.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.7 t -58.18 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.82 -31.67 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.06 -40.84 82.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -91.27 -66.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.84 -59.36 3.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.21 -178.38 17.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.555 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -102.03 -9.73 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.836 0.35 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -65.61 -10.89 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.58 -40.99 76.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.706 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -66.32 -33.52 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.256 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.17 -56.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.89 -34.1 71.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.8 -46.61 84.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.27 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -66.44 -28.99 69.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.111 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.5 -53.26 44.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.02 -39.78 83.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.22 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -73.95 -40.3 63.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -70.76 -22.49 62.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.481 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.18 -51.84 55.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -70.66 -43.19 69.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.37 63.5 0.05 OUTLIER Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.992 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -172.62 147.05 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.293 . . . . 0.0 110.7 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.09 -86.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.732 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 58.7 tptt . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 71.2 Cg_endo -74.26 -37.82 2.38 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.04 1.826 . . . . 0.0 112.326 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -36.92 85.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.47 -43.91 92.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.34 -41.54 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -61.75 -46.2 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.04 -54.09 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.7 m-20 -57.22 -59.5 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 m -50.91 -30.97 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.16 -42.84 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.39 -29.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.5 mm? -83.64 -30.7 26.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.297 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -82.95 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.0 -55.42 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 172.63 12.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.503 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -99.85 -2.5 34.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.715 0.293 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.058 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.71 -17.42 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.4 -41.4 96.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.808 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -68.81 -36.4 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.96 -54.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.61 -36.32 78.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.496 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.94 -39.6 95.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.54 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -71.14 -32.37 68.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG3' HG21 ' A' ' 65' ' ' VAL . 23.9 ttmm -64.83 -51.3 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.203 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.18 -40.37 67.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.602 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 -40.71 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.329 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.8 ttp -76.86 -41.79 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -69.21 -18.41 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.13 -27.59 70.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.33 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.98 -2.39 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -140.97 3.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -174.9 138.48 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.716 0.293 . . . . 0.0 110.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -166.87 -26.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 55' ' ' LYS . 28.8 m . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.275 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 75.5 mmtt . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 111.504 0.186 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 73.5 Cg_endo -74.26 -25.51 13.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.156 1.904 . . . . 0.0 112.239 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -27.64 68.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.41 -39.74 70.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.08 -42.8 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -64.88 -51.83 59.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.58 -49.42 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.394 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.34 -46.49 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.3 m -59.32 -36.93 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.248 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.75 -53.5 26.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.5 mt -62.23 -24.34 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -86.65 -30.71 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.31 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -83.69 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.939 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.86 -56.19 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.11 -158.18 23.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.68 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -115.2 -22.54 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 95.6 mttt -69.17 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.51 -50.65 68.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -61.9 -37.77 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' LYS . 55.0 mt -62.34 -47.05 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.59 -40.07 90.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -60.23 -46.86 88.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.599 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.95 -28.58 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.65 -52.43 25.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.268 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.47 -40.27 92.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.51 -52.65 63.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -33.82 74.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.74 -33.05 48.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.526 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.91 -34.69 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.69 40.65 1.08 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -154.41 138.41 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 178.55 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.042 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 31.4 mmmt . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 68.9 Cg_endo -73.07 -24.61 17.0 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.909 1.74 . . . . 0.0 112.352 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.02 -37.33 81.27 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.87 -30.69 65.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.5 -47.69 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.06 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.19 -41.95 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -45.63 90.17 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.81 -55.7 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -52.4 -38.35 58.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.62 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.62 -44.55 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.439 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.41 -48.29 87.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.322 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.73 -36.34 80.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.26 -67.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.508 HD22 ' C ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -155.17 9.53 0.3 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.468 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.24 48.58 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.706 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.66 -41.76 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.605 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.77 -9.97 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.67 -48.54 79.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -62.73 -35.43 79.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.49 -48.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -60.41 -46.65 89.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -62.46 -32.72 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.411 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.13 -42.79 83.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.87 -48.63 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.26 -52.86 62.96 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.672 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.85 -35.1 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.521 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpt -70.69 -42.42 70.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.76 -27.42 68.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.233 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.58 97.18 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -79.64 -20.83 45.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.752 0.276 . . . . 0.0 110.954 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.62 135.68 4.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.18 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 34.0 t80 64.07 159.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.097 0.475 . . . . 0.0 111.554 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.48 -170.06 1.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.034 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 63.6 tttm . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.226 0.084 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 91.4 Cg_endo -78.82 -33.64 1.54 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.121 1.881 . . . . 0.0 112.302 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.69 -26.43 68.66 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.391 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.24 -41.69 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.407 . . . . 0.0 110.636 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.72 -40.5 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.24 -49.92 65.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.162 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.81 -47.82 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.94 -50.84 71.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -54.22 -49.05 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.993 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.07 -53.62 54.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.21 -18.8 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 tp -83.15 -30.92 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.329 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.13 -4.12 24.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.625 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.77 -35.89 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 111.036 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.16 158.99 32.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.78 -179.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.461 0.119 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -65.46 -9.42 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.76 -49.27 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.363 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.35 -36.53 84.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.577 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.56 -41.17 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.75 -46.78 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -63.91 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -71.39 -45.58 62.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.4 -46.72 87.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.41 -44.95 77.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.7 t -54.73 -43.09 72.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.459 ' HE1' ' H ' ' A' ' 64' ' ' GLU . 1.3 ttp -72.29 -35.55 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -72.34 -16.64 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.34 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.48 -53.15 36.84 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.84 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -84.06 -10.92 57.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.67 138.08 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.768 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.95 147.52 53.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' H ' ' HE1' ' A' ' 58' ' ' MET . 0.6 OUTLIER -162.2 -57.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.847 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.532 0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 16.1 tppt? . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -58.56 -30.25 91.34 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.317 2.011 . . . . 0.0 113.29 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 12.0 tp10 -61.12 -31.41 71.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.76 -52.05 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.53 -41.54 85.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.71 -42.97 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.33 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.649 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.54 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 m -61.5 -33.37 73.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.58 -45.52 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.0 mt -67.32 -27.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.278 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.17 -30.97 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.223 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -88.53 -68.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -68.29 -15.85 63.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.21 168.44 44.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -80.4 142.02 34.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.09 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.761 0.315 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -87.76 -9.59 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.34 -49.92 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -63.94 -40.63 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.084 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.02 -58.19 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.82 -31.41 69.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.84 -40.08 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.3 t80 -70.44 -37.62 74.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.28 -51.88 64.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.33 -40.63 96.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.543 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 79.3 mmm -64.32 -39.04 93.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.841 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.17 -10.44 86.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -136.59 23.25 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 95.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.21 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 44.7 p90 -60.26 166.45 2.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 0.0 111.42 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -150.88 -42.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.189 179.774 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 62.9 tttp . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 111.446 0.165 . . . . 0.0 111.446 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 71.6 Cg_endo -75.62 -34.84 3.05 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.098 1.865 . . . . 0.0 112.169 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.19 -24.97 66.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.77 -50.73 48.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.282 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.23 -41.4 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.839 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -61.39 -45.86 92.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -63.95 -49.37 72.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -56.8 -35.63 68.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.1 -51.82 42.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.91 -30.72 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.296 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.29 -31.13 27.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.67 -66.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -75.78 -58.98 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.45 167.95 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.173 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.07 145.77 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.753 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.745 0.307 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -65.68 -21.28 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.12 -46.21 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.269 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -66.8 -36.93 83.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.8 -56.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.52 -40.31 78.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.24 -35.81 82.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.435 . . . . 0.0 110.62 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.3 -35.13 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -68.98 -50.74 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.471 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.31 -46.05 88.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.434 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.9 m -61.73 -45.03 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 tpt -71.89 -22.34 61.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.84 -53.75 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.73 -34.52 64.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.95 -27.41 64.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.643 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.99 92.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.591 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -163.83 -144.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -49.3 157.42 0.48 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.563 0.22 . . . . 0.0 110.758 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.695 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.607 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 28.8 mtpp . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 111.427 0.158 . . . . 0.0 111.427 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 33.8 Cg_exo -58.27 -37.03 97.03 Favored 'Trans proline' 0 C--N 1.353 0.816 0 C-N-CA 121.908 1.739 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.96 -31.48 72.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -69.05 -36.71 77.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.43 -39.77 70.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.687 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.49 -48.41 75.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -62.24 -48.34 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.39 -48.96 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.1 m -61.07 -37.3 82.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.62 -42.47 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.4 -29.94 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.4 mt -75.16 -34.89 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.425 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -94.26 -65.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.399 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.83 -54.34 23.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.26 170.71 13.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.628 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.09 -8.06 56.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.606 179.705 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HD2' HD12 ' A' ' 51' ' ' ILE . 28.6 tptt -66.23 -9.96 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.33 -42.08 73.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.98 -47.52 74.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.491 HD12 ' HD2' ' A' ' 48' ' ' LYS . 97.4 mt -60.81 -53.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.425 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.82 -36.8 75.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.6 -56.99 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.66 -24.04 67.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -66.36 -52.24 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.606 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.69 -45.0 84.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.5 m -57.54 -56.81 17.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.383 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.0 -35.96 78.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.035 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -65.09 -34.76 79.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.9 -28.22 65.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.02 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.61 -42.17 87.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.666 0.27 . . . . 0.0 111.039 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.74 36.56 0.28 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -158.21 138.38 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.4 -162.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.233 0.221 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.071 179.657 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.8 mttm . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.923 -0.029 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 93.3 Cg_endo -78.7 -15.8 13.39 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.208 1.939 . . . . 0.0 111.871 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.56 -45.4 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.576 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.54 -34.91 78.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.297 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.81 -53.4 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.42 -33.39 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.319 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 37' ' ' ILE . 51.2 ttp180 -67.4 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.4 t70 -57.19 -54.0 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 m -53.23 -45.54 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.474 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.72 -39.45 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.339 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 33' ' ' ARG . 90.6 mt -69.29 -34.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.523 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.3 mm? -71.47 -37.47 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.729 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -85.42 -57.51 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.552 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.8 OUTLIER -65.59 -56.1 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.81 -162.4 27.42 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.87 -39.25 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.004 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.07 -12.63 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.97 -43.92 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -69.17 -31.35 69.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.36 -57.28 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.14 -41.55 88.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.75 -38.51 91.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.4 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.539 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -61.06 -50.13 74.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.92 -43.24 86.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.802 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.55 -42.6 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -36.8 81.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.022 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.361 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.28 53.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.34 -49.15 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 80.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.66 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -158.03 137.53 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -62.98 -22.26 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.155 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.0 p . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.076 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 62.2 mttp . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 50.0 Cg_endo -67.87 -26.49 38.06 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.073 1.849 . . . . 0.0 112.437 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.76 -35.59 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -71.15 -32.89 69.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.87 -49.24 48.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.3 -41.78 93.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.292 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -63.25 -48.95 76.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.662 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.53 -41.72 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.986 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.6 m -60.56 -49.43 77.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.7 t -56.13 -48.63 75.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.09 -23.6 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.4 tp -75.68 -34.59 60.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.52 -64.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -66.06 -59.19 4.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.82 176.45 14.39 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.767 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -100.89 -18.45 16.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.836 0.35 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.2 mtmt -76.95 -10.7 59.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.718 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.33 -49.54 75.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -63.14 -39.33 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 48' ' ' LYS . 75.2 mt -58.89 -53.8 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.65 -37.64 76.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -61.68 -36.34 80.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.275 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -68.18 -45.01 74.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.643 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -57.18 -52.88 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -35.34 80.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 m -55.68 -52.08 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.904 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.1 mtp -74.28 -27.0 60.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.11 -36.84 84.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.29 -48.97 80.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.312 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 88.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.75 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.01 -83.86 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.63 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -154.53 149.81 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.33 -20.4 62.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.7 p . . . . . 0 CA--C 1.535 0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.664 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 26.1 Cg_exo -62.82 -38.09 50.88 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.068 1.845 . . . . 0.0 111.972 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.82 77.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.98 -47.02 84.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.629 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.99 -43.9 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.84 -48.38 81.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.38 -52.5 65.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.294 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.77 -40.21 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -61.46 -40.87 96.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.8 -41.02 88.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.73 -33.7 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.91 -30.49 35.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -76.35 -66.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.72 -59.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.11 165.87 13.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.16 -29.2 70.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -65.26 -19.07 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.31 -48.66 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -67.51 -35.81 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.42 -56.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.672 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.75 -39.31 73.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.04 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.5 -35.29 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.971 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.81 -32.58 71.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.36 -50.53 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.97 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.46 -41.22 96.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.9 m -59.59 -57.38 13.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 tpt -57.86 -38.89 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 63' ' ' PHE . 58.7 tttm -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.64 -6.83 56.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.248 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -123.37 -78.16 0.6 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 117.052 0.426 . . . . 0.0 111.959 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -110.37 -38.42 1.63 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.267 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 59' ' ' LYS . 63.4 t80 66.64 111.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -140.31 -1.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.782 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.834 0.349 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -97.76 -37.11 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.13 -7.81 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.697 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -106.19 -2.93 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -112.5 -4.79 14.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -64.18 -25.64 68.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -100.34 172.63 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -87.6 -179.11 6.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -120.68 -33.09 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 63.35 103.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.122 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -99.39 -34.0 10.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -157.31 128.78 6.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -78.01 138.28 38.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.69 103.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.12 162.13 27.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -145.0 -1.43 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -104.13 122.35 45.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -112.21 -20.16 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -63.62 146.16 96.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.37 162.25 43.05 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.431 2.087 . . . . 0.0 112.201 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.83 100.06 17.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.9 -6.84 19.1 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.354 2.036 . . . . 0.0 112.384 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 25' ' ' VAL . 82.9 m 65.44 147.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.374 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.9 m 61.46 -99.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.165 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 23' ' ' CYS . 27.2 m 39.43 -155.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.657 0.383 . . . . 0.0 111.831 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -162.63 19.6 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -54.79 -50.27 86.9 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.455 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 3.0 Cg_exo -76.35 -30.65 5.15 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.405 2.07 . . . . 0.0 112.037 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.73 -34.9 78.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.277 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -67.67 -42.38 82.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.06 -46.03 79.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.42 -41.31 98.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 37' ' ' ILE . 33.8 ttp180 -61.34 -53.75 52.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.36 -39.34 72.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.8 m -59.06 -53.63 56.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.818 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.02 -43.02 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.782 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.58 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 80.3 mt -59.29 -39.54 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.607 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.3 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -70.03 -73.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.511 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.48 19.26 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.725 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 37' ' ' ILE . . . -67.81 -111.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.495 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 63.95 -80.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -131.06 -13.33 3.56 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -54.92 156.46 3.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.0 22.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.143 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -114.5 13.78 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p -130.6 -6.85 4.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -62.11 -22.4 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.67 -44.8 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -69.9 -38.57 76.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.08 -55.72 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.228 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.29 -46.18 86.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -60.84 -35.64 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -67.2 -43.3 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.44 -51.36 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.304 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.34 -38.02 87.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.974 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.7 m -57.21 -56.19 25.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.962 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 mtp -62.04 -33.62 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.027 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.93 -24.71 75.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.957 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -64.93 -54.69 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.794 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 154.07 -6.33 0.35 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.61 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -144.8 130.15 18.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -90.82 99.69 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.957 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 70.1 t 62.51 129.04 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.674 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 65' ' ' VAL . 24.7 Cg_exo -63.25 126.11 17.14 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.477 2.118 . . . . 0.0 112.271 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.8 p -70.11 139.64 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.62 -57.43 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.353 -0.832 . . . . 0.0 111.042 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.757 0.313 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m 61.71 15.17 6.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -134.22 -25.68 1.53 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.763 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 t -74.73 138.59 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 63.92 151.2 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -149.93 137.03 19.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -139.92 4.77 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.68 112.39 22.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.714 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 61.19 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -124.26 164.59 19.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -91.34 110.73 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.051 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -85.2 118.9 25.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -137.85 10.68 2.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.93 179.59 6.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.268 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -77.09 179.32 6.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.14 -179.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 57.48 94.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.59 166.28 10.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.61 135.47 86.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.783 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.62 -171.04 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.613 2.208 . . . . 0.0 112.301 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -122.74 122.68 27.11 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.29 142.18 14.85 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.475 2.117 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.31 -40.96 7.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.6 m -132.08 -82.76 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG13 ' SD ' ' A' ' 58' ' ' MET . 30.7 t 63.0 156.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.031 0.444 . . . . 0.0 111.39 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 2.4 m -103.38 122.44 44.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.981 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 64.7 mttp -78.61 -49.6 1.67 Allowed Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.739 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 38.0 Cg_endo -65.17 -36.86 34.76 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.178 1.919 . . . . 0.0 112.606 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -62.17 -31.12 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.111 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -72.26 -41.11 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.703 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -64.49 -47.88 77.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.625 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.0 -44.45 96.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.592 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -58.98 -54.89 42.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.696 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.64 -39.96 65.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.733 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.6 m -66.61 -32.16 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.776 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.9 t -69.79 -52.2 27.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.951 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.72 -35.1 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -71.3 -41.36 70.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -68.55 -69.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.348 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.21 -59.96 2.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.785 0.326 . . . . 0.0 111.405 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.95 -158.37 27.63 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.367 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -88.83 -23.22 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.805 0.336 . . . . 0.0 110.718 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.69 15.04 17.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.0 p -59.49 138.94 57.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 41.1 tt0 -144.64 -23.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.8 m -103.04 27.71 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 54.0 tttm -64.75 -10.33 26.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.15 -44.21 61.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.28 -40.11 93.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.59 -58.21 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -53.68 -42.43 67.95 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -62.74 -36.24 82.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.77 -39.9 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.61 -46.9 86.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.09 -50.6 69.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.4 t -54.21 -42.62 69.99 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.591 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.522 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 84.7 mmm -62.03 -46.41 89.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.9 ttmp? -55.52 -35.94 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.713 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.4 -48.66 61.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -102.21 41.18 1.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 0.0 110.999 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.04 97.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 53.8 p90 -68.86 149.19 49.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -133.95 -13.6 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.2 p -96.12 134.43 23.75 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.956 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -57.6 128.08 27.89 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.375 2.05 . . . . 0.0 112.419 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.4 p -137.45 -14.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 64.89 135.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.372 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.558 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 3' ' ' GLU . 5.3 t -135.62 -16.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 2' ' ' THR . 44.2 mt-10 -119.43 -179.14 3.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.798 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.2 m 58.54 96.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -139.59 21.66 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.262 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -71.17 154.31 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -69.99 -175.17 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 59.69 99.82 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.186 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -118.08 136.42 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.791 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' H ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -86.45 159.58 19.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.942 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 65.11 144.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -90.96 165.21 13.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.2 m80 60.56 103.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.2 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.48 -179.07 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.84 144.16 29.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.004 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.4 t -149.59 10.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.684 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -88.2 115.04 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 t70 60.23 102.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.383 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.79 134.28 19.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.23 141.11 42.49 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.392 2.061 . . . . 0.0 112.631 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -133.62 147.56 65.05 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.89 104.16 1.87 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.089 . . . . 0.0 112.492 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -147.79 -40.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.762 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 26' ' ' CYS . 24.4 p -91.41 -179.45 5.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.646 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 25' ' ' VAL . 13.5 t 68.15 -6.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.339 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 85.0 m 54.78 86.58 0.05 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.592 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.6 mptm? -83.05 -51.98 0.65 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 64.8 Cg_endo -72.62 -43.1 0.99 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.27 1.98 . . . . 0.0 112.29 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 1.9 mp0 -57.12 -33.99 67.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.86 -46.85 87.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.98 -32.94 74.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.654 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.43 -56.68 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.754 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -59.22 -39.77 83.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.35 -41.02 96.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.9 m -64.8 -44.84 88.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -58.53 -46.21 87.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.51 -25.08 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.32 -43.68 69.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.362 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -83.81 -59.76 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.638 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -65.66 -59.5 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.223 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.1 -177.36 20.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.97 142.44 53.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.564 0.221 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 68.58 -72.23 0.1 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.987 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.1 t 58.09 95.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.181 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -82.89 -4.0 57.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -80.67 -42.94 21.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 86.1 m -119.61 77.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -87.52 -9.54 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.14 -46.55 75.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -64.95 -30.75 71.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.995 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -67.88 -55.65 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -26.82 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -69.05 -51.75 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -66.41 -31.52 72.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.01 -49.87 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.15 -49.57 71.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 12.1 tpt -62.82 -42.36 99.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -65.77 -22.73 66.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.581 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.47 -37.81 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.759 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.8 8.67 40.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.694 0.283 . . . . 0.0 111.262 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.71 -119.12 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.681 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' MET . 25.7 p90 -132.59 -173.08 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.634 0.254 . . . . 0.0 110.802 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -57.56 177.09 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.894 0.378 . . . . 0.0 111.042 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t -58.42 134.63 85.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.86 115.6 2.23 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.669 2.246 . . . . 0.0 112.234 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.9 p -102.43 -64.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.125 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.45 -77.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.228 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 p30 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.071 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -99.74 -15.24 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -116.38 -37.21 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 p -104.71 132.85 50.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -140.16 3.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -134.21 151.3 51.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' HG2' ' HG3' ' A' ' 8' ' ' GLN . 62.4 tttp -135.97 153.45 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.562 ' HG3' ' HG2' ' A' ' 7' ' ' LYS . 78.8 mt-30 60.95 100.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -116.86 -40.5 3.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.83 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' H ' ' H ' ' A' ' 11' ' ' GLU . 12.2 pt20 -163.17 -20.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' H ' ' H ' ' A' ' 10' ' ' GLN . 11.7 pt-20 -70.48 -16.36 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -108.57 126.92 53.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.674 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.76 126.32 28.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.42 147.93 33.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 59.46 -176.11 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -120.87 118.32 29.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -73.01 155.59 39.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.47 -57.33 5.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -136.93 134.43 19.14 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.56 134.84 31.74 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.253 1.969 . . . . 0.0 112.149 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 tttp 65.3 80.72 0.23 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.417 ' HG2' ' H ' ' A' ' 23' ' ' CYS . 42.9 Cg_endo -68.25 -69.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.389 2.059 . . . . 0.0 112.536 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 22' ' ' PRO . 86.4 m 58.68 23.32 10.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.14 172.55 13.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.4 m 42.34 -164.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.063 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 m -152.58 100.9 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.201 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 27.8 ttpp -68.81 -46.86 33.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.461 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 51.5 Cg_exo -53.87 -36.63 83.74 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.184 1.923 . . . . 0.0 112.833 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 54' ' ' TYR . 9.2 tp10 -59.86 -39.9 86.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 110.701 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -64.64 -35.07 79.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.576 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.08 -56.42 11.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.44 -36.21 73.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.124 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -62.73 -53.77 49.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.73 -35.41 72.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -62.7 -52.04 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.5 t -59.86 -39.87 86.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.8 mt -69.05 -28.89 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.726 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.35 -50.61 44.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.756 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -69.22 -60.62 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.708 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -65.51 -59.52 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.492 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.05 177.27 14.81 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.744 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -73.07 143.58 47.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.708 0.29 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 58.76 98.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -163.08 144.2 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -80.32 3.18 21.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -100.43 -14.96 18.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.01 -1.85 11.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.304 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -67.43 -17.14 64.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.03 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.28 -47.69 69.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -68.35 -32.32 72.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.01 -53.16 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.37 -37.63 87.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -62.59 -47.92 81.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.056 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 64.2 t80 -68.61 -32.78 72.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -66.69 -48.52 69.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.316 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.5 -40.28 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.5 t -60.65 -41.68 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.511 ' HG3' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -71.8 -43.91 64.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.715 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.36 -28.14 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.7 -47.12 92.75 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.453 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -93.64 -63.47 1.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.87 -121.12 0.69 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.62 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -149.45 115.57 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 40.65 -94.96 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -132.39 132.23 22.74 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD3' ' HG3' ' A' ' 58' ' ' MET . 57.0 Cg_endo -70.63 134.19 25.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.38 2.053 . . . . 0.0 112.554 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.0 m -123.8 -22.01 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.988 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.93 -54.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.897 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.773 0.321 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 1' ' ' MET . 57.5 p -121.32 -67.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.245 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 60.33 -85.0 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -140.73 -14.99 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.73 133.93 42.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -160.42 153.07 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.641 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HG2' ' HG2' ' A' ' 8' ' ' GLN . 40.7 ttmt -148.61 130.17 14.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.034 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 18.6 mm-40 55.51 82.01 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -137.28 7.87 2.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -66.11 -69.0 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.02 10.67 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.46 110.84 22.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -132.36 169.38 16.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.9 175.94 0.09 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -151.38 135.94 17.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.79 14.8 4.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.028 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.36 142.78 27.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 t70 61.62 9.2 2.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.164 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 39.7 ttpt 57.34 93.46 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 33.4 Cg_endo -64.17 124.45 13.47 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.428 2.085 . . . . 0.0 112.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -153.2 149.01 20.72 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.0 130.67 37.64 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.51 2.14 . . . . 0.0 112.186 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.1 m -139.74 -7.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.9 p -163.27 -177.32 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG21 ' HE3' ' A' ' 27' ' ' LYS . 12.5 m 42.74 -163.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.039 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.3 m -142.32 100.12 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.775 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 35.8 mmtp -84.66 -49.38 0.62 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.765 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 57.5 Cg_endo -69.51 -30.52 23.29 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.914 1.743 . . . . 0.0 112.43 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -61.39 -37.36 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -64.08 -40.42 96.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.579 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.54 -43.29 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.5 -49.12 78.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.876 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -57.14 -50.53 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.738 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -58.0 -35.59 71.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.2 m -63.6 -47.36 81.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.83 -40.69 98.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.6 mt -69.47 -27.52 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 tp -76.47 -41.22 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.243 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -82.17 -65.53 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.599 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -65.47 -54.42 28.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.999 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.01 -163.22 22.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.592 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -115.03 -5.09 12.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.683 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.93 -43.0 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.7 m -67.04 101.26 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.741 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 62.5 4.22 1.29 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 49.8 19.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.039 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.0 m 49.78 31.81 4.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.001 0.429 . . . . 0.0 110.569 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -57.59 -22.8 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.657 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.85 -50.59 41.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 111.089 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -71.24 -31.62 67.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.16 -53.99 25.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.56 -37.26 86.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -61.53 -48.14 82.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.285 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.61 -32.71 72.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.928 0.394 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.63 -49.75 69.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.446 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.98 -39.65 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.524 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.36 -37.41 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.924 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -75.17 -47.27 29.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.32 -18.36 65.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.63 -18.62 75.85 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.803 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -112.52 8.27 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 0.189 . . . . 0.0 111.437 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -179.74 -124.67 0.9 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.269 -0.967 . . . . 0.0 113.048 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -100.17 170.26 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.679 0.276 . . . . 0.0 110.588 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 35.3 tt0 -52.66 163.36 0.46 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 5.3 p -48.6 133.44 13.7 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.01 117.36 3.49 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.552 2.168 . . . . 0.0 112.444 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -100.82 -50.75 3.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.09 -42.92 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.887 -179.759 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 t -135.32 -24.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -156.33 101.58 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.658 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.4 p 52.95 -169.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -156.93 106.87 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -63.88 -76.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 tttp 57.6 21.44 7.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -85.02 5.71 28.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -119.56 13.33 12.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -142.63 -30.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.9 119.72 11.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -81.35 147.64 29.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -92.49 145.39 24.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.95 -58.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.413 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -108.67 -176.94 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.157 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 p -77.81 141.38 39.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.69 4.71 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.51 -29.84 62.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.578 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -120.04 78.1 24.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.719 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -77.38 117.38 4.33 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.577 2.185 . . . . 0.0 112.419 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -170.2 72.19 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.746 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -81.34 94.72 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.56 2.173 . . . . 0.0 112.463 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.7 m -147.35 51.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.9 m 60.81 103.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 t -119.55 150.08 22.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -174.35 30.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.2 mttm -60.83 -48.61 92.39 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.409 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 17.0 Cg_exo -67.42 -38.74 14.14 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.214 1.943 . . . . 0.0 111.823 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -37.59 87.98 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.036 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' HH21 ' A' ' 33' ' ' ARG . 24.1 tptm -72.0 -30.97 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -70.12 -48.67 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.7 -45.4 86.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 HH21 ' HE3' ' A' ' 30' ' ' LYS . 32.1 ttp180 -60.45 -54.5 44.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.954 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -52.87 -56.91 12.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.92 -43.11 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -56.76 -53.78 53.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.9 -42.19 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.81 -31.32 72.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -73.82 -70.69 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.56 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.413 HD22 ' C ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -150.82 3.63 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.491 -179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.07 19.27 6.74 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.445 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -70.65 -48.07 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.26 -8.99 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -72.33 139.53 48.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -103.65 13.01 34.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -94.02 15.65 16.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.794 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p -122.25 23.6 9.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.935 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HD2' HD12 ' A' ' 51' ' ' ILE . 31.9 mmmt -67.96 -10.01 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.52 -47.29 67.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.06 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -66.91 -37.21 83.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.463 HD12 ' HD2' ' A' ' 48' ' ' LYS . 52.2 mt -65.58 -50.1 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.379 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -62.84 -43.93 97.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.123 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.76 -38.8 89.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.16 -41.45 73.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.833 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -63.59 -44.16 94.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.962 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.74 -35.58 75.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.07 -55.02 39.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 35.1 ttm -65.84 -39.23 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -67.71 -22.26 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.2 -52.98 49.36 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.198 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -70.58 -14.96 62.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.64 73.86 1.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.566 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -150.9 105.16 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.541 0.21 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.54 149.11 17.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.058 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -113.77 83.22 7.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.633 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -88.23 -1.93 6.96 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.718 2.279 . . . . 0.0 111.567 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 t -72.65 -27.67 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.003 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.48 104.9 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.9 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.2 mtp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.4 p -82.55 -40.29 21.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.34 104.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.417 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -129.57 144.21 51.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.03 -29.81 1.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.026 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 59.55 13.35 3.28 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HG2' ' H ' ' A' ' 8' ' ' GLN . 14.1 ttmm 59.76 -175.54 0.1 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.805 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 25.4 mt-30 -78.41 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -135.76 -17.61 1.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.236 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.53 ' HA ' ' HD2' ' A' ' 7' ' ' LYS . 52.4 mt-30 60.65 -172.7 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.95 -49.17 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -101.21 141.86 33.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.91 154.91 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.08 102.78 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -118.85 124.76 47.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.692 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.4 t -103.13 138.16 40.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.017 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -125.01 133.72 52.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -131.95 132.61 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -143.57 94.04 6.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.07 174.23 10.95 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.489 2.126 . . . . 0.0 112.272 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -131.12 82.52 63.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.44 151.78 29.58 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.573 2.182 . . . . 0.0 112.396 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.6 m -78.03 -66.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.6 m -131.44 -77.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.697 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.679 HG12 ' H ' ' A' ' 27' ' ' LYS . 11.1 t 63.45 154.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.229 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.3 p -121.08 22.55 10.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.679 ' H ' HG12 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -60.46 -52.1 75.29 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 87.2 Cg_endo -78.38 -26.9 5.7 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.187 1.924 . . . . 0.0 112.323 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.12 -42.86 91.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.546 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.15 -48.58 80.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.61 -41.47 90.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.27 -42.18 99.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.81 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.94 -49.58 77.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.6 -37.15 86.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.7 m -64.61 -36.14 83.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 t -70.5 -48.15 57.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.72 -30.57 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -84.43 -55.34 4.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.667 0.27 . . . . 0.0 111.325 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.25 -37.16 66.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.312 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.9 OUTLIER -83.75 -58.31 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.748 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.53 37.71 1.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.546 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 58.54 -178.14 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.863 0.363 . . . . 0.0 111.12 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 55.84 19.61 3.62 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.7 p -127.6 86.7 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 59.16 8.54 1.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm 47.12 31.1 1.52 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.537 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.5 p 42.68 36.86 0.89 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.592 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -50.38 68.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.89 -38.02 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.387 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.58 -56.32 18.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 110.682 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.92 -43.15 86.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -61.49 -31.87 71.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.462 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.05 -52.84 45.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.81 -42.01 78.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.983 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.32 -39.95 89.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.3 m -57.99 -54.06 51.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.3 mtp -67.35 -28.74 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.702 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -59.92 -45.32 92.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.114 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -20.0 72.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.905 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.425 ' HD2' ' H ' ' A' ' 25' ' ' VAL . 40.1 t80 -56.56 -56.8 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.08 20.74 0.13 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.259 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -160.79 131.92 5.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.95 -172.26 0.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.4 p -116.7 77.95 8.61 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 111.25 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.06 -18.74 6.08 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.649 2.233 . . . . 0.0 112.077 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.8 p -61.14 144.68 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.3 -55.35 2.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.065 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.04 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.812 0.339 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.4 m -145.35 137.0 25.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.967 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -71.97 139.82 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.4 m -108.21 101.78 10.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -158.81 -21.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -67.05 117.13 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp 61.45 104.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -131.16 151.0 51.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.733 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.25 -42.46 91.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -109.16 112.11 24.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.987 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -160.27 98.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.774 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 44.7 t30 58.79 98.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 59.85 99.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.181 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.85 118.95 37.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.058 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -65.71 159.78 24.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.024 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.3 m 61.55 108.61 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.238 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' A' ' 19' ' ' LYS . 35.5 tt0 -147.32 113.32 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.92 25.86 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.992 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' H ' ' HG2' ' A' ' 17' ' ' GLU . 32.2 mmtp 52.04 79.83 0.33 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.191 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.44 29.54 0.54 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.661 2.241 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -158.43 122.12 2.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -88.0 20.28 1.2 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.763 2.308 . . . . 0.0 112.687 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.8 m -86.14 18.19 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.094 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.8 p -109.54 175.57 5.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.673 HG12 ' H ' ' A' ' 27' ' ' LYS . 17.3 t 66.28 154.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.197 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -140.45 20.93 2.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.673 ' H ' HG12 ' A' ' 25' ' ' VAL . 4.3 ttmp? -55.6 -50.42 87.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.6 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 60.7 Cg_endo -71.23 -23.3 24.55 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.108 1.872 . . . . 0.0 112.529 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.08 -36.68 84.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.23 -43.49 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.655 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.93 -44.77 88.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.801 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.44 -42.17 99.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD2' HG12 ' A' ' 51' ' ' ILE . 52.4 ttp180 -60.08 -51.39 69.81 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.495 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.39 -34.03 75.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.8 m -67.37 -34.93 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -69.06 -48.86 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.351 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.03 -35.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -71.32 -39.1 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -62.94 -60.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.134 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -72.8 -59.21 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.082 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 146.65 -88.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.462 HE21 ' HB2' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -175.37 161.0 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 67.57 -6.84 0.62 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.572 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 46' ' ' LYS . 72.0 p -93.89 91.39 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.726 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 64.9 -2.67 0.67 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.394 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 44' ' ' SER . 44.5 mtpt 44.12 31.05 0.49 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.953 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.0 p 41.8 43.39 2.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.25 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -54.13 -22.52 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.595 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.09 -50.49 54.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.338 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -71.1 -40.41 71.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.28 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.431 HG12 ' HD2' ' A' ' 33' ' ' ARG . 64.8 mt -60.77 -55.59 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.814 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -58.46 -44.86 89.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.613 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -58.06 -33.51 69.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.613 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.26 -44.1 69.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.38 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.27 -52.44 63.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.155 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 42.3 t -56.58 -32.93 65.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.7 tpt -78.43 -30.5 47.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.578 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -64.67 -43.72 92.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.392 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.58 -16.2 79.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.267 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -60.26 -71.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.64 0.257 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.38 -8.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.95 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -148.96 137.6 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.88 -170.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.95 76.46 73.72 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.014 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.11 -10.68 10.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.714 2.276 . . . . 0.0 112.28 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 t -57.33 -67.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.15 104.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.566 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.947 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.7 m -75.14 -52.99 9.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -118.39 -30.46 5.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.223 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 t -99.94 147.59 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.41 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -106.57 -17.36 14.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 62.0 106.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -137.49 -25.86 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -86.97 107.14 18.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -132.37 -11.66 3.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.711 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.621 HE21 ' H ' ' A' ' 11' ' ' GLU . 23.2 tp60 -103.73 150.78 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.621 ' H ' HE21 ' A' ' 10' ' ' GLN . 40.8 mt-10 -129.63 136.78 50.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.97 -7.62 57.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -104.35 126.75 51.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.88 -36.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.987 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 59.58 98.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.4 p -128.89 162.44 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -139.05 -29.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.63 122.51 43.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -91.3 147.92 36.56 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.791 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.57 28.29 0.45 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.571 2.181 . . . . 0.0 112.577 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -124.83 131.55 24.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.97 111.99 3.41 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.384 2.056 . . . . 0.0 112.121 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -97.19 -19.04 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.5 m -143.46 112.81 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' SG ' ' A' ' 26' ' ' CYS . 27.5 m -75.43 -165.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.988 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 57.3 m 67.51 41.13 2.43 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.39 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 59.9 tttm -68.65 -53.53 15.93 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.024 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 93.7 Cg_endo -78.92 -26.83 5.11 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.214 1.943 . . . . 0.0 112.389 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.87 -28.21 67.34 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.308 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 26' ' ' CYS . 97.9 mttt -67.98 -39.42 83.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.408 . . . . 0.0 110.607 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -70.98 -41.32 71.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.58 -47.09 76.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.173 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -62.39 -49.11 76.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.53 -49.99 75.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 m -61.38 -31.04 70.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.6 t -68.9 -41.88 77.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.76 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -71.82 -29.96 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.001 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 tp -82.0 -30.39 31.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.67 -62.28 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.113 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -73.84 -58.75 3.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.024 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.51 -172.0 32.34 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.472 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -63.76 113.51 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.607 0.242 . . . . 0.0 110.77 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 58.42 95.01 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -69.17 172.63 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.972 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 43.6 mt-10 -133.32 -8.17 2.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.186 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -122.07 -15.2 7.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.5 m -118.63 38.11 3.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 45' ' ' GLU . 62.8 mttm -74.48 -9.33 58.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.81 -46.97 77.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.051 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -63.87 -40.63 96.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.29 -58.0 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -32.47 68.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -69.41 -34.41 74.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -68.08 -46.69 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -62.96 -52.39 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -56.97 -51.52 68.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 26' ' ' CYS . 51.8 t -53.67 -45.22 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.4 tpt -60.81 -39.34 88.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.952 0.406 . . . . 0.0 110.247 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.34 -25.15 64.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.264 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.43 -40.99 96.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.642 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -37.21 71.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.622 0.249 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.81 -19.17 1.62 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.903 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -151.63 132.09 13.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.665 0.269 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -63.92 -176.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.731 179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.71 152.97 23.69 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.36 121.96 9.32 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.447 2.098 . . . . 0.0 112.415 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.9 m -91.26 -32.53 15.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.09 116.04 7.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.946 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.6 p -122.93 142.46 50.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.327 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -159.04 122.12 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.3 m 65.08 124.81 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 63.07 115.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -87.8 22.59 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 62.44 98.66 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.822 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.06 162.49 24.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -129.59 146.59 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -150.16 -5.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -67.0 111.04 3.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 56.98 96.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.217 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -82.85 139.32 33.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.36 125.68 5.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.409 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -121.52 -9.27 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' H ' ' H ' ' A' ' 17' ' ' GLU . 47.4 t -167.18 -7.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.706 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' A' ' 16' ' ' CYS . 42.4 tt0 -166.03 116.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -79.92 -71.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.015 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -151.66 149.27 23.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.14 -170.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.551 2.168 . . . . 0.0 112.419 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -113.75 102.72 55.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.739 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.44 112.35 2.57 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.332 2.021 . . . . 0.0 112.283 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 87.9 m -145.35 -42.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -174.35 80.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -151.9 143.75 15.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.59 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -149.64 68.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 31.8 mmtp -73.02 -49.72 7.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.773 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 36.3 Cg_exo -57.75 -45.24 34.41 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 121.922 1.748 . . . . 0.0 112.201 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.42 -40.32 81.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -70.05 -28.18 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.32 -51.24 18.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.012 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.47 -38.89 91.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -66.19 -50.44 63.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -55.79 -46.84 77.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.636 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.57 -43.52 89.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.588 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.7 t -58.18 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.82 -31.67 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.06 -40.84 82.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.21 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -91.27 -66.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.84 -59.36 3.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.21 -178.38 17.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.555 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -102.03 -9.73 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -90.94 0.78 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.638 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 t -64.88 156.13 31.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.713 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -124.61 -25.39 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.079 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -7.39 47.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.2 m -105.16 10.19 33.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.795 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -65.61 -10.89 39.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.58 -40.99 76.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.706 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -66.32 -33.52 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.256 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.7 mt -67.17 -56.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.89 -34.1 71.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.8 -46.61 84.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.27 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -66.44 -28.99 69.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.111 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.5 -53.26 44.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.01 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.02 -39.78 83.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.0 m -64.22 -31.5 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -73.95 -40.3 63.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -70.76 -22.49 62.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.481 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.18 -51.84 55.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -70.66 -43.19 69.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.37 63.5 0.05 OUTLIER Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.992 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -172.62 147.05 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.293 . . . . 0.0 110.7 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -80.09 -86.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.436 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.4 t -143.12 136.09 13.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.732 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -44.29 113.66 0.47 Allowed 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.979 2.453 . . . . 0.0 112.652 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 t -61.99 137.6 58.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.197 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.04 2.6 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.854 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -152.32 162.57 40.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -140.46 -2.27 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.075 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.9 p -89.19 -17.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -94.6 154.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.73 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -83.19 4.86 24.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -104.63 139.98 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.35 110.74 21.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 63.99 117.72 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.337 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.05 121.81 40.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.67 167.39 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.15 134.41 45.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 58.79 -177.89 0.08 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.78 -42.41 9.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 58.73 101.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.304 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 t -119.87 -7.83 9.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.529 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -74.96 -43.28 54.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.7 115.57 26.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -110.47 123.12 36.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.38 119.43 6.34 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.291 1.994 . . . . 0.0 112.221 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HD2' HG11 ' A' ' 25' ' ' VAL . 4.1 tmtp? -137.88 88.78 15.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.98 -160.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.626 2.218 . . . . 0.0 112.308 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 79.0 m 62.49 177.16 0.14 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HB2' ' HG2' ' A' ' 58' ' ' MET . 23.4 p -77.07 132.29 38.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.489 HG11 ' HD2' ' A' ' 21' ' ' LYS . 3.5 m -143.7 110.95 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.595 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.3 m -154.85 84.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.442 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 58.7 tptt -84.18 -50.43 0.62 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.315 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 71.2 Cg_endo -74.26 -37.82 2.38 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.04 1.826 . . . . 0.0 112.326 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.56 -36.92 85.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -64.47 -43.91 92.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.34 -41.54 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -61.75 -46.2 90.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.04 -54.09 50.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.791 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' O ' HD23 ' A' ' 38' ' ' LEU . 12.7 m-20 -57.22 -59.5 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.7 m -50.91 -30.97 16.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.2 t -70.16 -42.84 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.848 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -70.39 -29.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.5 mm? -83.64 -30.7 26.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.297 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -82.95 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.0 -55.42 12.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.696 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.86 172.63 12.64 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.503 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -99.85 -2.5 34.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.715 0.293 . . . . 0.0 111.076 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -109.99 -3.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 46.6 t -77.99 158.85 29.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -104.53 -26.32 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 10.5 mmpt? -77.05 -7.67 56.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 44' ' ' SER . 31.5 p -95.52 3.34 54.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.71 -17.42 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.007 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.4 -41.4 96.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.808 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -68.81 -36.4 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.96 -54.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.61 -36.32 78.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.496 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -62.94 -39.6 95.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.54 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -71.14 -32.37 68.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG3' HG21 ' A' ' 65' ' ' VAL . 23.9 ttmm -64.83 -51.3 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.203 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.18 -40.37 67.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.602 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.55 -40.71 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.329 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG2' ' HB2' ' A' ' 24' ' ' CYS . 2.8 ttp -76.86 -41.79 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -69.21 -18.41 63.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.13 -27.59 70.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.33 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.98 -2.39 12.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.86 -140.97 3.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -174.9 138.48 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.716 0.293 . . . . 0.0 110.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -166.87 -26.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 55' ' ' LYS . 28.8 m -60.06 150.08 71.79 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.275 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.75 153.31 59.19 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.453 2.102 . . . . 0.0 112.393 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.4 p -136.2 116.91 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.28 159.77 30.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.023 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.885 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.7 m -110.43 129.76 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.75 -64.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -74.5 121.45 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -156.47 -0.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -77.21 136.0 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.805 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 9.8 mtmp? -105.72 -20.57 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 59.35 16.98 5.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -79.42 -34.56 41.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.02 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -123.13 138.96 54.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -150.54 105.1 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.686 HD22 ' H ' ' A' ' 14' ' ' ALA . 4.4 p-10 -147.71 -39.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.4 m80 59.88 10.15 2.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.319 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.686 ' H ' HD22 ' A' ' 12' ' ' ASN . . . -91.88 108.43 19.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 60.8 179.25 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.7 m -102.04 -6.08 23.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -110.52 117.27 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -96.11 -57.48 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -136.82 150.92 71.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.14 93.44 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.507 2.138 . . . . 0.0 112.274 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -144.75 124.06 7.02 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.06 110.02 3.0 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.291 1.994 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -166.89 149.4 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.6 m 58.18 -175.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m 43.8 -166.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.173 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 p -172.33 14.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.176 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 75.5 mmtt -54.89 -52.3 71.91 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.504 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 73.5 Cg_endo -74.26 -25.51 13.41 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.156 1.904 . . . . 0.0 112.239 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -27.64 68.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.41 -39.74 70.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.678 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.08 -42.8 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.983 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -64.88 -51.83 59.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -57.58 -49.42 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.394 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.34 -46.49 88.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.3 m -59.32 -36.93 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.248 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.75 -53.5 26.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.5 mt -62.23 -24.34 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -86.65 -30.71 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.31 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -83.69 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.939 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.86 -56.19 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.11 -158.18 23.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.68 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -115.2 -22.54 9.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.94 -1.23 21.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.5 t -79.46 152.31 30.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -102.4 -15.09 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.961 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.9 tttp -91.02 -23.68 20.3 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -65.96 -13.3 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.069 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 51' ' ' ILE . 95.6 mttt -69.17 -10.57 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.51 -50.65 68.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.746 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -61.9 -37.77 85.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 48' ' ' LYS . 55.0 mt -62.34 -47.05 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.59 -40.07 90.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -60.23 -46.86 88.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.599 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.95 -28.58 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.832 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.65 -52.43 25.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.268 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.47 -40.27 92.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.51 -52.65 63.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -33.82 74.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.74 -33.05 48.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.526 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.91 -34.69 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.013 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.69 40.65 1.08 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -154.41 138.41 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.678 0.275 . . . . 0.0 110.657 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 178.55 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 111.042 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 t -119.43 79.31 20.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.92 -17.16 7.1 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.644 2.23 . . . . 0.0 112.116 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -95.25 144.54 25.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.13 -43.26 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.837 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tmm? . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.5 p -119.41 145.48 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -153.44 150.01 28.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.2 m 60.6 104.81 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.2 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -130.28 119.58 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -104.54 133.46 49.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.008 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -116.78 -40.94 3.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 57.11 47.76 16.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.557 ' HG3' ' HG2' ' A' ' 10' ' ' GLN . 8.6 tp10 64.12 -84.46 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.195 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HG2' ' HG3' ' A' ' 9' ' ' GLU . 2.8 pt20 -166.72 61.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.922 0.391 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -93.31 -64.5 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 m120 55.15 96.1 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.01 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -96.29 -62.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.66 -67.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.284 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -77.79 110.69 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -169.08 146.04 3.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 60.7 -179.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.269 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.27 138.19 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 52.75 82.04 0.25 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.273 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.61 26.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.585 2.19 . . . . 0.0 112.366 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -131.61 79.47 68.81 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -80.0 32.85 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.8 2.333 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.1 m 62.62 -82.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.2 p -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.821 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 25' ' ' VAL . 15.6 t -95.12 -3.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.996 0.427 . . . . 0.0 110.989 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 43.2 m -67.54 86.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 31.4 mmmt -87.16 -50.45 0.44 Allowed Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.413 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 68.9 Cg_endo -73.07 -24.61 17.0 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.909 1.74 . . . . 0.0 112.352 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 13.3 mm-40 -68.02 -37.33 81.27 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.87 -30.69 65.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.5 -47.69 53.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.06 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.19 -41.95 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -63.39 -45.63 90.17 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.81 -55.7 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.5 m -52.4 -38.35 58.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.62 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.62 -44.55 96.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.439 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.9 mt -59.41 -48.29 87.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.322 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.73 -36.34 80.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -65.26 -67.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.508 HD22 ' C ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -155.17 9.53 0.3 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.468 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.24 48.58 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.706 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.66 -41.76 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.605 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -133.63 5.95 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t -98.6 120.9 39.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.63 8.97 22.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -86.09 -2.93 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.1 13.64 16.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.77 -9.97 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.67 -48.54 79.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.531 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -62.73 -35.43 79.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.49 -48.5 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -60.41 -46.65 89.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -62.46 -32.72 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.411 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.13 -42.79 83.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.87 -48.63 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -61.26 -52.86 62.96 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.672 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -53.85 -35.1 61.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.521 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.402 ' SD ' ' HA ' ' A' ' 24' ' ' CYS . 12.2 tpt -70.69 -42.42 70.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.373 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -61.76 -27.42 68.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.233 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.97 -44.58 97.18 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.877 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -79.64 -20.83 45.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.752 0.276 . . . . 0.0 110.954 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.62 135.68 4.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.551 -0.833 . . . . 0.0 113.18 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 34.0 t80 64.07 159.28 0.09 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.097 0.475 . . . . 0.0 111.554 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -78.48 -170.06 1.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.974 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.32 131.72 75.84 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.034 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.9 108.21 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.311 2.007 . . . . 0.0 112.309 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.6 m -102.72 -57.95 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 61.31 103.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.821 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tmm? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -88.05 121.71 30.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -96.85 -18.87 19.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.705 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p 54.48 102.45 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.809 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -98.09 -38.26 9.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm 57.99 92.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -143.37 3.87 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.634 HE21 ' H ' ' A' ' 9' ' ' GLU . 26.1 tp60 -161.25 135.85 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.634 ' H ' HE21 ' A' ' 8' ' ' GLN . 18.2 mm-40 -72.97 123.01 22.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.14 140.88 31.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -154.78 -45.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.2 m120 58.11 -174.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 m80 58.82 -172.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.06 -80.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.38 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -156.84 104.2 2.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -144.24 13.17 1.6 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -89.33 -42.7 11.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -69.14 127.62 33.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -128.87 107.63 18.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.29 117.47 4.17 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.424 2.083 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -138.47 96.89 9.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.35 143.99 49.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.47 2.113 . . . . 0.0 112.389 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.49 -14.65 59.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.692 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.24 107.53 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -88.18 -12.82 10.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -94.54 21.09 7.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.047 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 63.6 tttm -52.05 -52.27 63.51 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 91.4 Cg_endo -78.82 -33.64 1.54 Allowed 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.121 1.881 . . . . 0.0 112.302 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -62.69 -26.43 68.66 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.391 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.24 -41.69 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.407 . . . . 0.0 110.636 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.72 -40.5 76.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.24 -49.92 65.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.162 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.81 -47.82 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.94 -50.84 71.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.987 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.6 m -54.22 -49.05 70.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.993 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 t -56.07 -53.62 54.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.21 -18.8 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.3 tp -83.15 -30.92 27.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.329 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -103.13 -4.12 24.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.625 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -122.77 -35.89 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 111.036 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.16 158.99 32.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.407 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.78 -179.74 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 63.81 5.95 2.51 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.9 p -66.97 121.88 16.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 44.9 mt-10 -103.86 13.17 33.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' H ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.8 1.16 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 73.0 m -130.42 15.82 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.8 mtpm? -65.46 -9.42 25.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.76 -49.27 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.363 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.35 -36.53 84.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.577 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 52.1 mt -66.56 -41.17 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.434 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.75 -46.78 71.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -63.91 -32.6 74.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -71.39 -45.58 62.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.4 -46.72 87.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.41 -44.95 77.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.7 t -54.73 -43.09 72.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.459 ' HE1' ' H ' ' A' ' 64' ' ' GLU . 1.3 ttp -72.29 -35.55 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.595 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -72.34 -16.64 61.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.34 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.48 -53.15 36.84 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.84 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -84.06 -10.92 57.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.978 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.67 138.08 2.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.768 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -64.95 147.52 53.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 110.595 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' H ' ' HE1' ' A' ' 58' ' ' MET . 0.6 OUTLIER -162.2 -57.83 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.847 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -59.07 132.71 87.37 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.22 149.23 75.88 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.235 1.956 . . . . 0.0 112.263 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -133.97 -24.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.0 -41.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.91 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 ttp . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -113.7 -10.5 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -136.84 113.17 9.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.0 m 64.77 143.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.491 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.3 t70 64.89 157.22 0.09 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.356 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -128.96 161.94 28.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.609 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -91.66 -5.41 53.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.355 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.51 148.7 50.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.781 0.324 . . . . 0.0 110.782 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 102.3 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.794 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.596 ' HG2' ' HG2' ' A' ' 11' ' ' GLU . 30.0 tt0 -162.13 131.89 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.596 ' HG2' ' HG2' ' A' ' 10' ' ' GLN . 14.4 mm-40 57.47 21.97 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -65.48 -28.89 69.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -94.12 -170.76 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.39 18.64 6.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.313 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -72.46 114.23 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.987 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.7 m -108.36 155.34 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 59.43 102.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.59 169.12 9.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -81.29 117.3 67.6 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.01 -179.09 1.23 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.429 2.086 . . . . 0.0 112.504 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -140.42 83.24 15.41 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.19 30.56 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.884 2.389 . . . . 0.0 112.098 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.54 -55.23 34.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.281 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.415 ' O ' HG22 ' A' ' 25' ' ' VAL . 72.4 m -140.38 -177.81 5.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.115 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 24' ' ' CYS . 10.1 m 44.2 -169.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.404 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 29' ' ' GLU . 13.1 t -157.93 102.97 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.675 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 16.1 tppt? -72.75 -48.43 8.58 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.204 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -58.56 -30.25 91.34 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.317 2.011 . . . . 0.0 113.29 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 12.0 tp10 -61.12 -31.41 71.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.805 0.336 . . . . 0.0 110.859 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.76 -52.05 48.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.53 -41.54 85.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.71 -42.97 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.72 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.33 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.649 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.54 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.3 m -61.5 -33.37 73.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -70.58 -45.52 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.0 mt -67.32 -27.78 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.278 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.17 -30.97 23.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.223 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -88.53 -68.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -68.29 -15.85 63.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.21 168.44 44.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -80.4 142.02 34.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 55.39 90.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -141.92 7.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.603 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 65.17 5.34 2.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -137.12 1.16 2.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.4 p -103.62 -1.2 28.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.696 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -87.76 -9.59 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.34 -49.92 67.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -63.94 -40.63 96.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.084 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.02 -58.19 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.82 -31.41 69.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.84 -40.08 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . 36.3 t80 -70.44 -37.62 74.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.28 -51.88 64.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.33 -40.63 96.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.543 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 79.3 mmm -64.32 -39.04 93.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.354 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.841 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.17 -10.44 86.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.867 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -136.59 23.25 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.38 95.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.21 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.543 ' HA ' ' HB3' ' A' ' 58' ' ' MET . 44.7 p90 -60.26 166.45 2.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 0.0 111.42 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -150.88 -42.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.723 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.53 149.38 98.16 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.189 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.02 116.96 4.28 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.361 2.04 . . . . 0.0 112.277 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.0 p -114.02 3.15 15.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.45 -29.72 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.295 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.86 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.4 p -98.5 1.92 47.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.31 114.27 13.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -162.54 169.84 19.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -125.09 -40.48 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 57.7 97.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -93.55 -34.04 13.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.629 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 62.4 -83.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -79.6 178.84 7.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -82.52 155.75 24.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.299 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 57.64 -94.92 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -174.2 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.09 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 61.28 102.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.195 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.62 148.13 26.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.072 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -88.24 159.26 18.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.799 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -74.36 137.15 42.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.75 -9.81 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -86.33 -33.38 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -115.57 87.61 17.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.12 127.05 13.03 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -146.3 89.71 5.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.53 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.59 131.97 15.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.509 2.139 . . . . 0.0 112.331 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 85.9 m -97.96 -51.41 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' O ' HG22 ' A' ' 25' ' ' VAL . 26.8 p -75.46 -162.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 24' ' ' CYS . 12.1 m 44.79 -168.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.232 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -149.29 27.85 0.83 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 62.9 tttp -53.47 -51.4 76.19 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.446 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 71.6 Cg_endo -75.62 -34.84 3.05 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.098 1.865 . . . . 0.0 112.169 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.19 -24.97 66.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.77 -50.73 48.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.282 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.23 -41.4 94.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.839 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -61.39 -45.86 92.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -63.95 -49.37 72.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.2 m -56.8 -35.63 68.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.1 -51.82 42.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.935 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.9 mt -59.91 -30.72 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.296 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.29 -31.13 27.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -69.67 -66.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -75.78 -58.98 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.45 167.95 12.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.173 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.07 145.77 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 0.0 110.753 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 58.79 93.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -154.96 175.9 13.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.38 -25.34 14.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.96 14.34 9.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -124.28 -14.4 6.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -65.68 -21.28 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.12 -46.21 68.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.269 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -66.8 -36.93 83.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.8 -56.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.52 -40.31 78.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.24 -35.81 82.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.435 . . . . 0.0 110.62 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.3 -35.13 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -68.98 -50.74 46.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.471 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.31 -46.05 88.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.434 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.9 m -61.73 -45.03 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 tpt -71.89 -22.34 61.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.624 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.556 ' HG3' ' HA ' ' A' ' 67' ' ' SER . 60.2 tttm -69.84 -53.75 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.73 -34.52 64.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -69.95 -27.41 64.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.643 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.99 92.0 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.591 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -163.83 -144.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -49.3 157.42 0.48 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.563 0.22 . . . . 0.0 110.758 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG13 ' HD2' ' A' ' 66' ' ' PRO . 54.0 t 65.16 137.16 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD2' HG13 ' A' ' 65' ' ' VAL . 74.2 Cg_exo -38.23 103.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.845 2.363 . . . . 0.0 112.81 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.556 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 82.9 p -117.58 -35.93 3.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.77 117.86 4.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.906 . . . . 0.0 110.908 179.899 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.7 t -138.23 150.5 46.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.004 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -133.83 -73.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 p 48.95 95.44 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.713 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 62.68 104.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.54 114.83 9.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -133.19 113.91 13.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -88.42 150.55 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.806 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -142.93 106.89 4.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.036 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -101.39 172.19 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 58.6 -89.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.5 t30 64.37 144.39 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.994 0.426 . . . . 0.0 111.318 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -104.76 145.39 30.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.719 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.66 -177.37 5.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.18 5.44 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.782 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 t 59.85 100.71 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.276 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -153.69 -48.64 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -145.49 -6.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -95.51 134.08 24.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.713 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.91 -179.48 5.23 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.442 2.095 . . . . 0.0 112.427 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -152.91 148.03 19.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.57 -72.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.485 2.124 . . . . 0.0 112.289 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.9 t 58.29 15.58 3.49 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.7 p -142.03 -167.65 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 t 65.4 153.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.279 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 29' ' ' GLU . 91.9 m -140.58 106.23 5.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.712 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.607 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 28.8 mtpp -87.34 -49.95 0.45 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 33.8 Cg_exo -58.27 -37.03 97.03 Favored 'Trans proline' 0 C--N 1.353 0.816 0 C-N-CA 121.908 1.739 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 2.6 mp0 -62.96 -31.48 72.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -69.05 -36.71 77.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.43 -39.77 70.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.687 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -64.49 -48.41 75.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -62.24 -48.34 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.39 -48.96 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.1 m -61.07 -37.3 82.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.62 -42.47 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 76.5 mt -72.4 -29.94 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.4 mt -75.16 -34.89 61.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.425 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -94.26 -65.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.399 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -66.83 -54.34 23.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.26 170.71 13.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.628 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.09 -8.06 56.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -90.02 -12.78 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.606 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -69.45 127.6 33.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.28 -22.54 12.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.728 ' H ' ' HD3' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -70.73 -26.04 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.007 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 75.4 m -104.37 24.86 10.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HD2' HD12 ' A' ' 51' ' ' ILE . 28.6 tptt -66.23 -9.96 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.33 -42.08 73.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.322 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -65.98 -47.52 74.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.491 HD12 ' HD2' ' A' ' 48' ' ' LYS . 97.4 mt -60.81 -53.66 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.425 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.82 -36.8 75.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -61.6 -56.99 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.195 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.66 -24.04 67.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -66.36 -52.24 48.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.606 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -65.69 -45.0 84.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.5 m -57.54 -56.81 17.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.383 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.0 -35.96 78.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.035 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -65.09 -34.76 79.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.9 -28.22 65.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.02 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -66.61 -42.17 87.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.666 0.27 . . . . 0.0 111.039 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.74 36.56 0.28 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.55 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -158.21 138.38 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.4 -162.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.26 67.76 79.1 Favored Pre-proline 0 C--O 1.233 0.221 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.071 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -89.24 -69.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.664 2.242 . . . . 0.0 112.111 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.9 p 48.52 -162.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.462 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.67 174.72 15.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.24 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.854 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.5 m -87.93 -36.75 16.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 58.17 -173.74 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -122.41 145.18 48.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -158.88 -10.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HD2' HE21 ' A' ' 8' ' ' GLN . 17.0 tppt? -95.93 123.36 39.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.616 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -70.05 -30.71 68.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.776 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.518 HE21 ' HD2' ' A' ' 6' ' ' LYS . 47.1 mt-30 -69.78 -18.33 63.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.351 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 60.33 103.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -139.89 154.93 47.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.3 -31.08 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -99.98 121.26 41.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -92.41 -19.42 22.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.63 15.56 4.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.281 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.42 151.68 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.6 p -132.98 125.72 30.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -134.2 -177.99 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -119.86 177.71 4.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -121.46 103.36 41.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.11 158.3 58.33 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.358 2.039 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -109.95 101.01 45.73 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.627 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.39 178.88 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.365 2.043 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.4 m 59.36 92.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.268 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.4 m 57.01 97.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -157.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.3 m 67.01 13.19 9.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.675 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 67.8 mttm -60.75 -54.36 55.35 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.923 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.519 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 93.3 Cg_endo -78.7 -15.8 13.39 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.208 1.939 . . . . 0.0 111.871 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -65.56 -45.4 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.576 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -63.54 -34.91 78.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.297 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.81 -53.4 18.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.42 -33.39 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.319 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 37' ' ' ILE . 51.2 ttp180 -67.4 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' HD23 ' A' ' 38' ' ' LEU . 17.4 t70 -57.19 -54.0 51.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 m -53.23 -45.54 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.474 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -60.72 -39.45 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.339 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 33' ' ' ARG . 90.6 mt -69.29 -34.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.523 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 34' ' ' ASP . 4.3 mm? -71.47 -37.47 71.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.729 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -85.42 -57.51 3.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.552 ' N ' HD22 ' A' ' 40' ' ' ASN . 0.8 OUTLIER -65.59 -56.1 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.766 0.317 . . . . 0.0 110.92 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.81 -162.4 27.42 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.87 -39.25 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -115.35 83.12 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.004 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -127.99 139.85 52.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.46 -35.49 75.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.775 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -87.27 22.08 2.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 52.3 t -125.1 -13.96 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.07 -12.63 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.97 -43.92 73.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -69.17 -31.35 69.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.36 -57.28 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.14 -41.55 88.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.75 -38.51 91.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.4 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.539 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -61.06 -50.13 74.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.898 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.92 -43.24 86.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.802 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.55 -42.6 96.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -36.8 81.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.967 0.413 . . . . 0.0 110.022 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.361 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.28 53.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -57.34 -49.15 77.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 80.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.66 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -158.03 137.53 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -62.98 -22.26 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.155 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 65' ' ' VAL . 6.0 p 37.28 84.71 0.18 Allowed Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.076 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.99 -14.39 9.83 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.6 2.2 . . . . 0.0 112.495 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -64.17 120.25 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.248 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.38 110.82 3.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.931 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 t -133.64 143.47 48.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -130.93 122.44 26.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -143.39 109.84 5.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -131.91 124.77 30.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.597 ' HE3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.8 -62.09 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.03 153.89 20.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -157.45 144.42 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.653 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -96.05 -83.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.257 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -145.32 11.09 1.3 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.101 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 57.14 -171.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -100.34 -42.5 6.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.8 m80 59.2 100.63 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.261 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.12 99.46 3.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.015 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -125.0 15.68 8.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.9 p -85.69 9.28 16.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -155.45 103.02 2.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -148.58 118.07 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -128.6 86.26 58.13 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.18 -176.94 3.52 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.523 2.148 . . . . 0.0 111.854 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -154.5 80.64 4.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 111.314 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.6 146.28 85.2 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.585 2.19 . . . . 0.0 112.146 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.7 p -161.37 169.62 21.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.0 p -68.88 112.41 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -129.27 130.56 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.148 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 p -172.99 26.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.983 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 62.2 mttp -53.41 -51.39 76.14 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.692 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 50.0 Cg_endo -67.87 -26.49 38.06 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 122.073 1.849 . . . . 0.0 112.437 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.76 -35.59 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -71.15 -32.89 69.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -70.87 -49.24 48.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.3 -41.78 93.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.292 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -63.25 -48.95 76.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.662 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.53 -41.72 90.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.986 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.6 m -60.56 -49.43 77.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.7 t -56.13 -48.63 75.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.09 -23.6 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.4 tp -75.68 -34.59 60.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.52 -64.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.308 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -66.06 -59.19 4.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.82 176.45 14.39 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.767 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -100.89 -18.45 16.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.823 0.344 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -80.36 -16.2 55.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -61.43 161.21 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -106.2 -13.88 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -96.24 1.43 52.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.1 p -95.94 0.14 51.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.2 mtmt -76.95 -10.7 59.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.718 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.33 -49.54 75.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -63.14 -39.33 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 48' ' ' LYS . 75.2 mt -58.89 -53.8 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.663 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.65 -37.64 76.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -61.68 -36.34 80.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.275 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -68.18 -45.01 74.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.643 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -57.18 -52.88 63.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.252 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -35.34 80.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.25 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 m -55.68 -52.08 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.904 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.1 mtp -74.28 -27.0 60.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -63.11 -36.84 84.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.29 -48.97 80.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.312 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 88.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.75 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 173.01 -83.86 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.63 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -154.53 149.81 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.33 -20.4 62.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.35 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.7 p 36.92 73.81 0.66 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.664 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -82.07 -8.75 11.93 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.425 2.084 . . . . 0.0 112.234 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -119.5 -79.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.43 -64.02 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.055 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.969 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.884 0.373 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 t -107.56 152.29 24.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -150.69 112.13 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.3 p -99.22 168.41 10.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -136.89 33.59 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.109 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -128.08 15.31 6.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.72 -68.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -86.04 -29.65 23.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.637 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -76.92 133.15 39.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -151.11 -1.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -127.27 130.82 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.77 143.03 38.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -86.58 170.7 11.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.4 156.84 37.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.14 173.98 7.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.3 m 62.02 169.51 0.12 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.19 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -142.2 138.34 31.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.06 -64.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HE3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -119.58 86.03 33.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.841 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.55 126.25 13.22 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.371 2.047 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm 65.28 76.74 0.3 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.461 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 69.8 Cg_endo -74.24 0.63 8.24 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.494 2.129 . . . . 0.0 112.675 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -76.25 -20.34 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' HA ' ' HB3' ' A' ' 61' ' ' TYR . 27.8 p -107.67 136.07 48.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 140.21 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.385 . . . . 0.0 111.462 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.4 p -169.24 20.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . 29.0 mtpp -52.79 -48.97 89.16 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.5 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 26.1 Cg_exo -62.82 -38.09 50.88 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.068 1.845 . . . . 0.0 111.972 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.89 -35.82 77.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.194 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.98 -47.02 84.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.629 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.99 -43.9 97.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.84 -48.38 81.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.16 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -58.38 -52.5 65.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.294 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.77 -40.21 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.1 m -61.46 -40.87 96.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.8 t -66.8 -41.02 88.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.73 -33.7 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.043 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -80.91 -30.49 35.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -76.35 -66.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.173 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.72 -59.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.11 165.87 13.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.427 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -65.16 -29.2 70.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.811 0.339 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -136.74 97.26 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.2 t -140.28 12.88 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.79 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.39 13.35 5.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -135.71 1.32 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.868 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t -99.54 -15.61 18.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -65.26 -19.07 65.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.31 -48.66 72.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -67.51 -35.81 79.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.42 -56.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.672 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -56.75 -39.31 73.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.04 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.5 -35.29 78.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.971 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -69.81 -32.58 71.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.36 -50.53 63.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.97 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.46 -41.22 96.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.9 m -59.59 -57.38 13.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.3 tpt -57.86 -38.89 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 63' ' ' PHE . 58.7 tttm -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.64 -6.83 56.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 113.248 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' HB3' ' HA ' ' A' ' 24' ' ' CYS . 98.2 m-85 -123.37 -78.16 0.6 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 117.052 0.426 . . . . 0.0 111.959 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.504 ' HA3' ' HB3' ' A' ' 24' ' ' CYS . . . -110.37 -38.42 1.63 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.267 -179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 59' ' ' LYS . 63.4 t80 66.64 111.15 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -140.31 -1.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.76 131.74 89.32 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.94 146.38 68.77 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.469 2.113 . . . . 0.0 112.231 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.2 p -131.73 -49.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 58.72 94.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.845 179.896 . . . . . . . . 0 0 . 1 stop_ save_