data_2ene_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 2ene _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 ' 11' ' ' LYS . . . . . 0.446 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -12.26 32.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.2 m-85 -117.63 108.04 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -140.5 133.3 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -70.78 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.33 -30.34 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 74.7 mm-40 -61.23 -53.68 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.27 -41.41 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.99 -23.66 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -45.36 157.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 22' ' ' PHE . 17.0 t -121.47 146.14 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.467 ' N ' HG12 ' A' ' 21' ' ' VAL . 15.8 m-85 -128.13 170.98 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -91.94 -52.95 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.99 152.72 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -61.4 -48.93 78.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -39.06 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.44 -32.78 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' ASN . 22.1 tp -70.59 -55.7 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t -54.81 -50.81 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.7 ptm180 -60.61 -38.07 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.8 t60 -66.69 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -38.83 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.1 mmm180 -48.37 -48.94 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -47.84 -24.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 7.2 mptt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.515 0.674 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -11.09 30.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 81.8 m-85 -112.41 104.92 13.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -135.51 130.76 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.11 115.49 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -88.36 13.25 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -104.46 -33.28 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -123.9 -45.07 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 13.16 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -81.58 167.53 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 18.3 t -135.8 146.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.7 155.58 47.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -78.66 -51.16 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -103.22 143.91 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.25 -45.87 90.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.8 t -42.56 -41.47 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.8 -35.76 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -68.59 -53.88 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -54.14 -55.38 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -51.78 -30.48 23.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -76.28 -44.49 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -48.85 -18.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -51.71 -51.55 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -55.34 -25.19 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 14.2 mmtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.566 0.698 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.5 28.69 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 97.6 m-85 -115.63 98.66 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -125.52 139.28 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -79.82 131.08 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.86 -16.52 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 52.1 mm-40 -69.69 -52.42 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -112.38 -44.05 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.52 -27.65 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -41.41 148.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 48.8 t -119.4 152.49 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.0 m-85 -139.92 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -78.75 -46.74 18.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -105.88 136.51 45.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.7 p30 -52.71 -46.38 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -38.91 -43.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.81 -36.0 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' ASN . 44.3 tp -69.27 -50.57 45.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -59.1 -47.53 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -65.92 -23.15 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 t60 -81.49 -56.52 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -38.75 -26.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.1 mtp180 -49.53 -49.6 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -53.99 -18.72 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.567 0.698 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.84 -4.39 13.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 83.2 m-85 -118.98 103.96 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -140.65 129.65 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.11 131.84 46.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -99.78 14.06 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -109.24 -38.88 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 p -118.38 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.77 -21.12 6.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 t -120.12 149.76 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -140.46 153.57 46.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -73.79 -53.2 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -94.89 172.26 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 34.8 t30 -88.81 -38.76 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -52.87 -34.06 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.96 -30.6 58.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.59 -48.55 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -60.83 -55.99 26.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -53.62 -25.39 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -78.43 -45.72 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.97 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -51.32 -41.97 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -68.16 -18.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 64.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.72 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 95.0 m-85 -121.23 108.21 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -133.12 130.65 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.95 121.79 15.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.49 14.39 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 34.1 mm-40 -103.99 -36.71 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -130.97 -45.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.48 -26.41 2.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -38.44 155.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 t -135.55 149.63 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 1.7 m-85 -143.41 172.93 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -92.61 -58.14 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -93.83 135.56 35.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -53.28 -30.5 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -55.27 -45.76 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.47 -31.04 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.18 -40.53 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -67.47 -54.79 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -54.79 -19.59 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.4 t60 -86.54 -55.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -40.42 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.7 mtp180 -50.82 -43.91 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.2 pt -48.26 -20.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' HD11 ' A' ' 34' ' ' ILE . 56.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.05 34.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -115.43 99.91 7.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -117.97 148.74 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -81.0 117.61 21.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -86.53 14.55 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mt-10 -109.26 -35.23 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 31.2 p -130.98 -41.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.71 -34.19 2.52 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -37.76 141.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 2.2 t -118.06 145.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.1 m-85 -131.32 170.98 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -89.62 -39.53 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -115.71 149.64 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.3 p-10 -65.66 -48.21 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASN . 67.4 m -37.52 -59.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.5 m-85 -56.15 -50.6 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.67 -56.26 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -52.62 -52.73 54.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -54.98 -25.57 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.2 t60 -82.35 -57.49 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -39.87 -25.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.2 mtm180 -50.13 -45.85 53.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.16 -22.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 36.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.603 0.716 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.31 15.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -117.74 99.28 6.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -128.49 127.78 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.55 133.05 54.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -101.05 13.03 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 67.2 mm-40 -100.67 -36.16 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.26 -38.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 14.83 4.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 179.1 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.42 143.75 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -142.99 167.15 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -86.25 -56.08 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -103.2 143.95 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' SER . 15.5 t-20 -52.11 -50.68 61.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ASN . 13.3 t -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -55.07 -41.81 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 -33.76 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -65.83 -53.13 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -57.96 -13.12 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' ARG . 44.4 t60 -91.04 -58.15 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -39.32 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.4 mtm180 -49.28 -52.24 28.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.1 pt -51.42 -17.32 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -5.17 15.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 82.5 m-85 -125.44 104.25 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -131.73 134.37 45.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -71.33 154.8 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.3 -36.07 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -55.63 -50.49 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -100.47 -38.56 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.97 29.18 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -97.68 171.88 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 t -131.14 154.55 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -137.39 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -110.05 22.5 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.1 t-80 -171.63 154.62 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -57.07 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -40.81 -47.77 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 15.9 m-85 -62.62 -41.46 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.81 -50.74 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 t -51.31 -46.76 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.0 mtp-105 -65.71 -30.95 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 25.6 t60 -70.71 -52.42 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -43.76 -22.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 4.4 mmp_? -48.41 -50.83 29.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 pt -52.29 -22.47 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.73 19.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.2 m-85 -117.35 101.66 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -134.09 127.7 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.78 145.67 55.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -101.41 -25.02 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 12.5 mm-40 -66.83 -49.8 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.18 -42.95 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 123.76 -27.86 5.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.454 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.0 mttt -35.81 139.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.9 t -110.38 153.32 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -139.16 150.65 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -77.27 -45.66 25.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -115.18 146.54 41.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -60.83 -45.84 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.2 m -39.88 -46.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.46 -41.81 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -54.85 -46.62 74.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 25.0 mtp85 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.0 t60 -65.12 -57.13 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -41.09 -24.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 25.8 mmm-85 -49.43 -50.53 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.0 pt -50.75 -19.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 91.3 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 61.6 m-85 -115.69 113.86 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -138.17 129.16 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.3 124.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -95.62 12.21 30.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mm-40 -99.25 -40.66 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -121.52 -48.71 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.3 27.16 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -91.31 179.5 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.15 148.77 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -142.63 144.41 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -62.18 -54.18 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -110.31 143.93 39.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -37.69 -46.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -71.51 -53.86 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.76 -30.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -64.86 -53.15 51.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -55.72 -17.92 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' GLN . 27.1 t60 -93.32 -68.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mt-30 -36.0 -35.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 25.8 ptt85 -46.05 -48.3 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 18.4 pt -41.31 -29.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 55.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 6.9 mmpt? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.8 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.7 m-85 -118.42 107.56 13.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -136.79 137.86 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.5 148.65 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -29.19 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.8 mp0 -63.19 -46.35 87.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.8 -41.39 3.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 122.81 -31.12 4.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLY . 23.4 mttp -37.49 137.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 22' ' ' PHE . 38.8 t -106.21 155.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' N ' HG11 ' A' ' 21' ' ' VAL . 12.1 m-85 -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.98 -47.27 25.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -119.25 152.38 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.6 t30 -66.62 -44.72 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -38.24 -56.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -62.76 -52.95 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -43.18 -45.85 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -54.06 -44.36 71.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -62.53 -29.17 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.2 t60 -80.25 -57.58 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -40.37 -25.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.8 mtp85 -48.62 -52.34 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -47.52 -25.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.8 mppt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 80.4 m-85 -126.35 115.14 19.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -139.73 144.95 37.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.87 122.3 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -89.58 7.09 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.3 mp0 -94.14 -30.5 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.81 -49.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.87 -15.58 4.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.07 155.97 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.7 t -128.57 152.63 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 5.2 m-85 -136.83 173.39 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -113.85 29.42 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.0 t-80 -170.78 160.88 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -84.5 -34.45 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -64.51 -27.33 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 4.8 m-85 -87.87 -29.1 21.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.65 -47.75 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.32 -47.92 82.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.32 -24.58 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 49.8 t60 -83.64 -55.88 4.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 84.5 mt-30 -38.44 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.5 mtp180 -49.82 -47.63 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 pt -52.8 -20.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mmtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -3.92 12.97 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.1 m-85 -125.67 103.75 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -135.89 126.91 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -66.99 139.44 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.66 -24.55 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 79.3 mm-40 -61.54 -55.56 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.49 -41.02 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.65 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -92.71 167.24 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 8.9 t -129.26 148.54 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.5 m-85 -136.5 174.46 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.51 -53.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -113.53 152.28 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' SER . 60.3 t30 -64.65 -53.79 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 3.4 t -34.77 -50.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.66 -50.38 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.9 -52.4 57.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -40.24 -62.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -45.13 -45.42 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.5 t60 -64.13 -57.09 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -38.2 -28.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mmm180 -46.58 -55.39 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.454 HD13 ' CE1' ' A' ' 35' ' ' HIS . 22.8 pt -39.55 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.527 0.68 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 89.2 m-85 -116.8 114.42 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 24.1 tttt -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 43.1 t -86.84 135.88 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.61 -27.69 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 23.9 mt-10 -59.26 -53.3 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.33 -40.44 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.26 -28.82 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -40.51 157.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -120.01 153.18 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 28' ' ' LEU . 7.7 m-85 -136.97 162.64 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -92.68 -45.46 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -116.16 140.72 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 p30 -56.74 -54.8 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 11.6 t -35.18 -56.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -58.73 -54.98 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 22' ' ' PHE . 28.7 tp -47.29 -46.37 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -46.55 -63.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 22.3 mtm105 -43.86 -37.06 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.1 t60 -72.79 -61.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.6 mt-30 -35.06 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.1 mtp180 -46.44 -53.34 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -40.24 -25.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 94.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.9 mptp? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.56 0.695 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.75 -10.64 29.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.6 m-85 -120.63 113.63 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -140.99 140.05 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.94 142.72 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -99.24 -29.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.11 -49.81 74.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 120.0 -32.62 4.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 52.3 mttt -37.57 151.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 22' ' ' PHE . 54.9 t -114.83 152.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' N ' HG11 ' A' ' 21' ' ' VAL . 4.7 m-85 -135.16 151.96 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.5 -51.03 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -117.08 165.77 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -70.46 -46.48 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -40.38 -52.08 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -62.11 -43.77 98.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.92 -59.65 5.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m -43.9 -52.92 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.3 mtt-85 -57.3 -40.32 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.7 t60 -63.54 -58.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.4 mt-30 -37.59 -28.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.1 mmp_? -48.2 -48.64 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -49.71 -24.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 43.9 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -7.34 20.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.4 m-85 -120.66 108.9 14.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -132.42 120.56 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -61.62 145.11 53.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -101.56 -35.59 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.7 mm-40 -52.87 -53.67 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -100.72 -36.87 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.68 5.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' HG22 ' A' ' 21' ' ' VAL . 58.2 mttt -97.05 -179.75 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 16.9 t -137.01 151.03 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 28' ' ' LEU . 38.2 m-85 -137.98 174.77 10.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -89.66 -57.61 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 8.5 t-80 -109.78 155.28 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -66.56 -55.13 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.542 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 10.1 t -34.49 -50.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 9.1 m-85 -62.19 -46.08 90.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.9 tp -53.69 -45.4 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -49.23 -50.65 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 57.2 mtt-85 -57.74 -44.48 86.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.1 t60 -62.28 -61.3 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' HIS . 15.4 mm-40 -37.04 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 9.8 mmt180 -46.43 -50.73 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.7 pt -44.38 -27.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.1 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.556 0.693 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.75 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 87.1 m-85 -112.55 104.06 12.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -128.26 135.04 49.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -71.44 146.86 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -107.47 -26.09 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.6 mt-10 -68.8 -33.83 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 26.0 p -126.94 -43.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 124.12 -33.12 3.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' GLY . 47.6 mttt -35.86 133.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 t -102.47 149.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 11.5 m-85 -135.91 168.31 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -95.98 -50.71 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.438 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.4 t-80 -104.57 131.07 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 40.8 t-20 -49.38 -45.04 45.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -43.25 -44.54 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 13.0 m-85 -71.51 -31.3 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 34.3 tp -70.42 -53.65 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -55.21 -51.78 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -61.39 -20.68 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -84.2 -59.56 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -38.68 -26.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.1 mtt180 -47.41 -53.74 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -41.88 -23.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 52.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -4.71 14.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 88.8 m-85 -124.69 102.45 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -129.93 128.69 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.76 147.07 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -103.39 -27.84 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 81.2 mm-40 -59.35 -56.77 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.44 -35.75 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.8 9.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -86.08 168.07 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -130.72 153.63 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CD1' HD12 ' A' ' 28' ' ' LEU . 29.3 m-85 -138.92 175.35 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -91.88 -53.86 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.3 t-80 -105.27 150.35 25.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -69.21 -56.15 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 p -35.69 -48.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 22.6 m-85 -63.06 -49.9 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 22' ' ' PHE . 17.7 tp -45.4 -45.11 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -53.52 -49.5 67.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 17.2 mmm180 -54.27 -40.24 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.4 t60 -67.77 -56.2 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -39.09 -25.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.4 mmm180 -50.1 -51.38 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 pt -47.51 -22.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -9.51 26.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 91.4 m-85 -116.32 100.62 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -133.53 129.27 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.65 148.22 51.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -103.8 -27.09 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -63.52 -50.82 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.07 -39.94 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 121.12 -26.04 6.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLY . 21.0 mtpt -36.1 153.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.64 145.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 28' ' ' LEU . 8.8 m-85 -132.8 173.13 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -90.91 -55.56 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.514 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -104.15 168.74 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.486 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.6 t30 -81.06 -49.2 11.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -42.62 -52.84 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.514 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 10.1 m-85 -60.23 -43.1 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 22' ' ' PHE . 46.8 tp -56.89 -55.25 36.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -45.27 -50.41 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -54.22 -44.29 71.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.0 t60 -63.88 -60.18 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.01 -26.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.2 mmm180 -48.32 -52.4 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -43.36 -24.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.0 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.534 0.683 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -5.21 15.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.396 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 70.3 m-85 -121.29 105.21 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -140.15 129.41 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -67.75 151.12 47.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -107.42 -31.12 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -63.4 -44.29 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.42 -41.99 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.46 -29.45 6.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -41.08 151.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 22' ' ' PHE . 29.6 t -117.63 148.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.1 m-85 -130.52 173.81 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 26.6 mtm180 -87.04 -57.59 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -109.71 167.14 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 42.8 t30 -70.13 -51.57 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . 40.8 t -36.24 -43.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -75.25 -39.06 60.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -62.92 -55.34 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -58.22 -53.93 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.84 -15.39 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 7.2 t60 -92.49 -55.39 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -46.89 -34.9 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -46.97 -32.96 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.5 pt -53.2 -36.13 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.45 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -86.98 81.66 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -109.73 87.67 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.97 106.27 0.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -55.07 -44.25 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -135.72 124.2 23.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.28 140.68 16.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -122.99 123.11 40.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.146 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.83 -175.04 16.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -90.42 -4.66 56.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -119.05 144.04 35.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -12.26 32.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.2 m-85 -117.63 108.04 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -140.5 133.3 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -70.78 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.33 -30.34 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 74.7 mm-40 -61.23 -53.68 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.27 -41.41 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.99 -23.66 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -45.36 157.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 22' ' ' PHE . 17.0 t -121.47 146.14 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' N ' HG12 ' A' ' 21' ' ' VAL . 15.8 m-85 -128.13 170.98 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -91.94 -52.95 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.99 152.72 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -61.4 -48.93 78.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -39.06 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.44 -32.78 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' ASN . 22.1 tp -70.59 -55.7 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t -54.81 -50.81 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.7 ptm180 -60.61 -38.07 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.8 t60 -66.69 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -38.83 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.1 mmm180 -48.37 -48.94 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -47.84 -24.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 -87.54 -66.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -45.9 169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.96 97.57 2.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.59 163.23 12.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 143.93 9.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 123.94 10.59 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -111.7 -52.75 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 146.17 16.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.87 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.5 p -108.48 -52.66 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 t -142.64 140.99 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -63.38 133.82 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -100.32 -49.09 4.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.31 -166.41 30.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -141.49 148.59 39.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -110.12 100.73 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.08 -111.36 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 m 54.36 53.21 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 111.162 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 172.44 47.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -123.95 79.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 7.2 mptt -50.12 143.95 11.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.515 0.674 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -11.09 30.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 81.8 m-85 -112.41 104.92 13.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -135.51 130.76 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.11 115.49 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -88.36 13.25 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -104.46 -33.28 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -123.9 -45.07 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 13.16 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -81.58 167.53 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 18.3 t -135.8 146.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.7 155.58 47.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -78.66 -51.16 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -103.22 143.91 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.25 -45.87 90.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.8 t -42.56 -41.47 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.8 -35.76 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -68.59 -53.88 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -54.14 -55.38 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -51.78 -30.48 23.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -76.28 -44.49 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -48.85 -18.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -51.71 -51.55 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -55.34 -25.19 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.3 m-70 -84.17 -69.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 t -56.75 -49.27 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.81 98.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 111.09 17.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 151.82 52.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.558 0.694 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.72 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.382 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.4 m -34.74 -50.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.51 68.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.96 1.0 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 t -86.27 111.61 20.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 t -146.74 165.2 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.444 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -64.48 132.63 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -172.74 119.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.83 81.64 1.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -119.58 129.94 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -66.84 96.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -126.06 -39.61 0.41 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.6 t -36.94 -40.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -40.44 135.6 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -110.77 41.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.971 0.415 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 14.2 mmtm -49.31 149.79 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.5 28.69 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 97.6 m-85 -115.63 98.66 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -125.52 139.28 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -79.82 131.08 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.86 -16.52 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 52.1 mm-40 -69.69 -52.42 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -112.38 -44.05 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.52 -27.65 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -41.41 148.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 48.8 t -119.4 152.49 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.0 m-85 -139.92 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -78.75 -46.74 18.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -105.88 136.51 45.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.7 p30 -52.71 -46.38 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -38.91 -43.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.81 -36.0 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' ASN . 44.3 tp -69.27 -50.57 45.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -59.1 -47.53 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -65.92 -23.15 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 t60 -81.49 -56.52 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -38.75 -26.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.1 mtp180 -49.53 -49.6 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -53.99 -18.72 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.0 m-70 -95.02 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 p -63.61 111.08 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.46 81.91 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -128.85 102.71 6.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.373 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -145.8 149.4 39.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.62 65.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -75.22 -50.8 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.27 172.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.43 69.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -83.75 122.27 28.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -110.02 95.84 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -151.9 176.84 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.377 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -99.37 171.46 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.76 106.19 0.53 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -152.9 119.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -38.7 152.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.93 -57.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.7 p -121.81 55.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 38.43 -140.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.31 50.05 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.375 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.41 147.06 1.48 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.84 -4.39 13.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 83.2 m-85 -118.98 103.96 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -140.65 129.65 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.11 131.84 46.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -99.78 14.06 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -109.24 -38.88 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 p -118.38 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.77 -21.12 6.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 t -120.12 149.76 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -140.46 153.57 46.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -73.79 -53.2 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -94.89 172.26 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 34.8 t30 -88.81 -38.76 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -52.87 -34.06 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.96 -30.6 58.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.59 -48.55 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -60.83 -55.99 26.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -53.62 -25.39 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -78.43 -45.72 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.97 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -51.32 -41.97 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -68.16 -18.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 64.7 m-70 -86.68 -51.42 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -99.57 135.41 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.47 -89.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -120.29 130.48 54.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 156.2 42.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 -165.89 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 70.4 m -36.71 113.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.69 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -0.73 7.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -45.47 159.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -62.37 146.89 50.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -116.12 114.28 24.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -81.57 -59.68 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.84 134.81 1.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -106.77 -61.01 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 t -119.26 121.16 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.97 -176.79 33.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -101.02 120.75 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.55 137.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 2.7 pt-20 -152.33 123.93 7.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -96.68 159.09 32.48 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.72 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 95.0 m-85 -121.23 108.21 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -133.12 130.65 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.95 121.79 15.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.49 14.39 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 34.1 mm-40 -103.99 -36.71 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -130.97 -45.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.48 -26.41 2.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -38.44 155.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.513 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 t -135.55 149.63 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 1.7 m-85 -143.41 172.93 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -92.61 -58.14 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -93.83 135.56 35.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -53.28 -30.5 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -55.27 -45.76 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.47 -31.04 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.18 -40.53 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -67.47 -54.79 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -54.79 -19.59 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.4 t60 -86.54 -55.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -40.42 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.7 mtp180 -50.82 -43.91 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.2 pt -48.26 -20.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CE1' HD11 ' A' ' 34' ' ' ILE . 56.3 m-70 -96.71 -60.12 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -122.85 147.76 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.07 -135.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -130.35 119.33 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.95 0.405 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -100.02 143.26 26.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.3 Cg_endo -69.73 103.81 1.21 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.1 p -158.43 117.87 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.83 -158.32 15.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 102.54 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.1 t -122.48 90.11 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.8 p -42.5 -45.08 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -164.52 138.92 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -105.45 169.01 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 165.5 28.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -92.81 85.51 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -91.06 -38.22 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.37 144.91 16.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -141.44 109.22 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.23 61.33 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.5 -4.59 8.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.64 152.91 81.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.05 34.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -115.43 99.91 7.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -117.97 148.74 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -81.0 117.61 21.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -86.53 14.55 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mt-10 -109.26 -35.23 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 31.2 p -130.98 -41.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.71 -34.19 2.52 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -37.76 141.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 2.2 t -118.06 145.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.1 m-85 -131.32 170.98 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -89.62 -39.53 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -115.71 149.64 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.3 p-10 -65.66 -48.21 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASN . 67.4 m -37.52 -59.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.5 m-85 -56.15 -50.6 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.67 -56.26 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -52.62 -52.73 54.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -54.98 -25.57 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.2 t60 -82.35 -57.49 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -39.87 -25.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.2 mtm180 -50.13 -45.85 53.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.16 -22.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 36.9 m-70 -82.64 -56.41 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.7 p -82.34 60.03 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.15 -69.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -102.99 76.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.9 ttpt -107.03 143.26 26.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.586 0.707 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.79 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 40.6 p -119.18 -46.5 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.86 146.35 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -106.16 -55.47 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m 59.73 42.26 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.511 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 68.0 m -35.44 -53.61 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m 48.29 42.33 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 -175.4 45.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p 41.76 42.87 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -137.16 169.15 18.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.6 159.98 14.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.5 m -98.58 -60.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.79 144.51 40.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -126.53 145.49 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.26 156.89 41.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.31 15.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -117.74 99.28 6.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -128.49 127.78 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.55 133.05 54.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -101.05 13.03 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 67.2 mm-40 -100.67 -36.16 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.26 -38.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 14.83 4.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 179.1 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.42 143.75 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -142.99 167.15 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -86.25 -56.08 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -103.2 143.95 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' SER . 15.5 t-20 -52.11 -50.68 61.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ASN . 13.3 t -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -55.07 -41.81 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 -33.76 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -65.83 -53.13 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -57.96 -13.12 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' ARG . 44.4 t60 -91.04 -58.15 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -39.32 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.4 mtm180 -49.28 -52.24 28.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.1 pt -51.42 -17.32 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.7 m-70 -99.24 -49.25 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 t -122.73 127.52 49.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.76 -121.6 1.96 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.27 117.8 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.9 tttm -90.53 143.11 28.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.686 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.77 143.19 50.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.8 p -150.85 137.44 18.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.21 172.76 23.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.81 68.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -69.07 119.44 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 p -61.72 150.28 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.482 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -70.6 82.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -166.96 169.33 13.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.04 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -42.18 154.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -121.44 113.57 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.77 157.69 45.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.7 p -88.21 163.23 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.61 -41.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 51.44 42.34 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 151.66 40.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -5.17 15.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 82.5 m-85 -125.44 104.25 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -131.73 134.37 45.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -71.33 154.8 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.3 -36.07 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -55.63 -50.49 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -100.47 -38.56 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.97 29.18 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -97.68 171.88 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 t -131.14 154.55 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -137.39 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -110.05 22.5 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.1 t-80 -171.63 154.62 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -57.07 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -40.81 -47.77 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 15.9 m-85 -62.62 -41.46 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.81 -50.74 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 t -51.31 -46.76 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.0 mtp-105 -65.71 -30.95 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 25.6 t60 -70.71 -52.42 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -43.76 -22.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 4.4 mmp_? -48.41 -50.83 29.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 pt -52.29 -22.47 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -91.77 -56.64 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 p -60.61 -9.36 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.63 -72.87 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -138.17 130.37 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -92.85 143.12 26.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -172.63 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 m -52.06 -47.65 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.52 74.77 1.02 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -42.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -67.31 166.26 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -164.16 162.75 22.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -122.8 -46.24 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 p -167.85 151.55 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 46.98 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -80.71 -48.94 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -95.35 94.27 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.01 169.82 13.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -73.82 151.42 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.49 90.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -111.09 -4.65 14.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -105.58 147.46 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.73 19.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.2 m-85 -117.35 101.66 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -134.09 127.7 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.78 145.67 55.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -101.41 -25.02 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 12.5 mm-40 -66.83 -49.8 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.18 -42.95 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 123.76 -27.86 5.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.454 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.0 mttt -35.81 139.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.9 t -110.38 153.32 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -139.16 150.65 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -77.27 -45.66 25.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -115.18 146.54 41.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -60.83 -45.84 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.2 m -39.88 -46.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.46 -41.81 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -54.85 -46.62 74.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 25.0 mtp85 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.0 t60 -65.12 -57.13 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -41.09 -24.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 25.8 mmm-85 -49.43 -50.53 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.0 pt -50.75 -19.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 91.3 m-70 -93.91 -68.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -50.12 -41.05 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.02 -143.34 48.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -124.67 163.72 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.949 0.404 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 143.98 91.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 88.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.4 p -90.89 -63.2 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.45 -170.41 15.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 103.86 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -45.72 146.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -126.19 133.13 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -96.27 163.9 12.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.8 t -94.51 163.59 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -34.35 110.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -52.82 133.58 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.39 56.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 p -128.92 38.39 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.4 127.35 9.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -87.6 32.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -121.31 143.88 38.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 61.6 m-85 -115.69 113.86 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -138.17 129.16 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.3 124.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -95.62 12.21 30.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mm-40 -99.25 -40.66 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -121.52 -48.71 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.3 27.16 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -91.31 179.5 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.15 148.77 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -142.63 144.41 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -62.18 -54.18 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -110.31 143.93 39.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -37.69 -46.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -71.51 -53.86 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 tp -42.76 -30.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -64.86 -53.15 51.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -55.72 -17.92 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' GLN . 27.1 t60 -93.32 -68.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.2 mt-30 -36.0 -35.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 25.8 ptt85 -46.05 -48.3 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 18.4 pt -41.31 -29.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 55.4 m-70 -79.02 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.0 p -42.06 -45.12 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.98 -48.1 83.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.51 135.65 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.8 143.74 96.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 157.6 59.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.341 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 m -95.58 -41.72 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.66 83.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 87.7 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.254 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -107.96 -43.13 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.0 p -58.26 172.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -42.81 115.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -110.46 167.63 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.65 104.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -76.59 115.03 15.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -92.04 110.44 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.01 -104.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -90.02 111.79 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.29 -38.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -72.33 84.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 6.9 mmpt? -119.32 146.21 40.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.8 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.7 m-85 -118.42 107.56 13.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -136.79 137.86 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.5 148.65 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -29.19 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.8 mp0 -63.19 -46.35 87.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.8 -41.39 3.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 122.81 -31.12 4.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLY . 23.4 mttp -37.49 137.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 22' ' ' PHE . 38.8 t -106.21 155.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' N ' HG11 ' A' ' 21' ' ' VAL . 12.1 m-85 -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.98 -47.27 25.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -119.25 152.38 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.6 t30 -66.62 -44.72 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -38.24 -56.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -62.76 -52.95 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -43.18 -45.85 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -54.06 -44.36 71.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -62.53 -29.17 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.2 t60 -80.25 -57.58 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -40.37 -25.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.8 mtp85 -48.62 -52.34 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -47.52 -25.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.6 m-70 -87.03 -53.04 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.2 p -78.06 84.72 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.01 -61.87 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -134.76 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 20.1 ttmm -85.42 139.4 36.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.694 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.81 155.56 65.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.21 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.5 p 37.84 47.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.94 146.33 11.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -83.18 -45.88 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.2 t -172.28 158.73 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.519 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -158.75 155.58 28.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 p -163.95 153.53 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.47 126.74 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -120.93 142.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -108.25 -42.52 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -43.7 -64.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.8 t -34.55 148.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.26 -173.88 48.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -115.7 134.84 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.901 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.8 mppt? -108.71 157.83 35.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 80.4 m-85 -126.35 115.14 19.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -139.73 144.95 37.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.87 122.3 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -89.58 7.09 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.3 mp0 -94.14 -30.5 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.81 -49.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.87 -15.58 4.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.07 155.97 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.7 t -128.57 152.63 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 5.2 m-85 -136.83 173.39 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -113.85 29.42 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.0 t-80 -170.78 160.88 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -84.5 -34.45 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -64.51 -27.33 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 4.8 m-85 -87.87 -29.1 21.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.65 -47.75 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.32 -47.92 82.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.32 -24.58 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 49.8 t60 -83.64 -55.88 4.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 84.5 mt-30 -38.44 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.5 mtp180 -49.82 -47.63 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 pt -52.8 -20.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.94 -47.46 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p -54.2 -46.24 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.3 -65.79 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LYS . 45.3 mm-40 -98.01 124.22 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 15.4 ttmm -36.99 139.5 0.48 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.687 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -34.3 14.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.9 m -158.74 165.22 34.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.58 -63.66 2.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.56 23.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -140.82 137.56 33.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -115.22 42.38 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -130.95 167.71 18.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -94.48 145.21 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 159.85 -40.3 0.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 73.4 m -36.08 112.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -150.09 150.35 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.11 -175.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 9' ' ' GLY . 28.6 m -127.92 144.47 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.105 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 8' ' ' THR . . . -104.34 71.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.485 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -67.18 99.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mmtt -69.82 151.15 96.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -3.92 12.97 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.1 m-85 -125.67 103.75 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -135.89 126.91 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -66.99 139.44 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.66 -24.55 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 79.3 mm-40 -61.54 -55.56 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.49 -41.02 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.65 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -92.71 167.24 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 8.9 t -129.26 148.54 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.5 m-85 -136.5 174.46 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.51 -53.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -113.53 152.28 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' SER . 60.3 t30 -64.65 -53.79 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 3.4 t -34.77 -50.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.66 -50.38 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.9 -52.4 57.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -40.24 -62.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -45.13 -45.42 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.5 t60 -64.13 -57.09 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -38.2 -28.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mmm180 -46.58 -55.39 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.454 HD13 ' CE1' ' A' ' 35' ' ' HIS . 22.8 pt -39.55 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 -90.37 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -106.06 -59.9 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.65 62.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -99.72 114.95 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HE2' ' CA ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -51.65 141.37 25.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.54 0.686 . . . . 0.0 110.898 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.24 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -98.11 120.64 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' CA ' ' HE2' ' A' ' 39' ' ' LYS . . . -104.81 149.17 16.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.55 2.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -117.1 86.08 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.1 m -59.64 130.08 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.423 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -42.43 137.63 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.54 116.76 4.44 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.429 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m -70.05 108.35 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -81.44 80.71 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.01 -132.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -123.06 91.96 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.74 58.33 0.62 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -141.33 116.63 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.58 145.31 38.75 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.527 0.68 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 89.2 m-85 -116.8 114.42 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 24.1 tttt -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 43.1 t -86.84 135.88 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.61 -27.69 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 23.9 mt-10 -59.26 -53.3 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.33 -40.44 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.26 -28.82 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -40.51 157.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -120.01 153.18 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 28' ' ' LEU . 7.7 m-85 -136.97 162.64 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -92.68 -45.46 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -116.16 140.72 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 p30 -56.74 -54.8 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 11.6 t -35.18 -56.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -58.73 -54.98 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 22' ' ' PHE . 28.7 tp -47.29 -46.37 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -46.55 -63.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 22.3 mtm105 -43.86 -37.06 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.1 t60 -72.79 -61.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.6 mt-30 -35.06 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.1 mtp180 -46.44 -53.34 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -40.24 -25.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 94.7 m-70 -93.38 -57.64 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.7 p -76.16 94.35 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.53 -85.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.95 105.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -118.59 151.01 49.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.54 21.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -39.8 133.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.65 63.31 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.515 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -46.11 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -93.79 42.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m 47.72 42.11 14.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.528 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 156.35 13.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -77.43 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.22 123.34 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -79.33 166.04 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -40.5 -61.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.9 122.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -114.47 111.09 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.54 98.07 2.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.491 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -142.74 119.37 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.9 mptp? -82.86 160.05 61.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.56 0.695 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.75 -10.64 29.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.6 m-85 -120.63 113.63 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -140.99 140.05 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.94 142.72 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -99.24 -29.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.11 -49.81 74.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 120.0 -32.62 4.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 52.3 mttt -37.57 151.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 22' ' ' PHE . 54.9 t -114.83 152.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' N ' HG11 ' A' ' 21' ' ' VAL . 4.7 m-85 -135.16 151.96 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.5 -51.03 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -117.08 165.77 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -70.46 -46.48 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -40.38 -52.08 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -62.11 -43.77 98.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.92 -59.65 5.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m -43.9 -52.92 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.3 mtt-85 -57.3 -40.32 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.7 t60 -63.54 -58.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.4 mt-30 -37.59 -28.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.1 mmp_? -48.2 -48.64 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -49.71 -24.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 43.9 m-70 -83.29 -44.98 14.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.1 p -81.49 42.96 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.3 -116.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.439 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.37 61.54 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 82.9 6.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.44 27.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -77.66 143.66 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.12 69.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -76.86 100.73 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -48.46 176.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.461 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -73.61 177.9 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.816 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.09 176.8 28.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -99.85 127.95 45.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -75.44 -46.51 32.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.37 89.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -134.92 157.94 45.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 168.2 24.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -127.02 129.97 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.18 152.57 84.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -7.34 20.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.4 m-85 -120.66 108.9 14.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -132.42 120.56 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -61.62 145.11 53.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -101.56 -35.59 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.7 mm-40 -52.87 -53.67 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -100.72 -36.87 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.68 5.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' HG22 ' A' ' 21' ' ' VAL . 58.2 mttt -97.05 -179.75 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 16.9 t -137.01 151.03 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CD1' HD13 ' A' ' 28' ' ' LEU . 38.2 m-85 -137.98 174.77 10.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -89.66 -57.61 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 8.5 t-80 -109.78 155.28 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -66.56 -55.13 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.542 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 10.1 t -34.49 -50.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 9.1 m-85 -62.19 -46.08 90.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.9 tp -53.69 -45.4 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -49.23 -50.65 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 57.2 mtt-85 -57.74 -44.48 86.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.1 t60 -62.28 -61.3 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' HIS . 15.4 mm-40 -37.04 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 9.8 mmt180 -46.43 -50.73 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.7 pt -44.38 -27.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.1 m-70 -89.94 -58.64 2.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.8 p -43.06 -46.96 5.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.45 -59.53 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.6 91.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.0 152.58 25.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.07 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 m -162.1 153.18 17.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -95.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -155.21 138.61 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.7 p -155.46 161.06 41.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.461 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -172.91 149.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 p -105.46 166.45 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.33 -172.51 13.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -149.9 118.48 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -142.83 162.76 34.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.68 -147.86 4.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 p -142.04 144.38 33.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 -166.79 37.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.72 40.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -141.47 144.6 34.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.556 0.693 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.75 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 87.1 m-85 -112.55 104.06 12.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -128.26 135.04 49.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -71.44 146.86 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -107.47 -26.09 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.6 mt-10 -68.8 -33.83 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 26.0 p -126.94 -43.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 124.12 -33.12 3.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' GLY . 47.6 mttt -35.86 133.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 t -102.47 149.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 11.5 m-85 -135.91 168.31 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -95.98 -50.71 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.438 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.4 t-80 -104.57 131.07 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 40.8 t-20 -49.38 -45.04 45.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -43.25 -44.54 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 13.0 m-85 -71.51 -31.3 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 34.3 tp -70.42 -53.65 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -55.21 -51.78 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -61.39 -20.68 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -84.2 -59.56 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -38.68 -26.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.1 mtt180 -47.41 -53.74 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -41.88 -23.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 52.8 m-70 -87.0 -62.42 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.71 99.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.91 56.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -168.45 170.87 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -58.31 143.96 78.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.74 9.42 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -97.4 37.35 1.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.53 160.99 22.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.7 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.7 p -58.55 79.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' PRO . 71.2 m -133.26 89.5 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.456 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m 60.02 43.47 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -143.08 150.15 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.8 86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -105.89 -47.12 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -80.56 173.29 12.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.81 -73.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -107.64 156.22 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.32 154.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -171.34 130.4 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -68.79 161.31 72.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -4.71 14.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 88.8 m-85 -124.69 102.45 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -129.93 128.69 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.76 147.07 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -103.39 -27.84 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 81.2 mm-40 -59.35 -56.77 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.44 -35.75 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.8 9.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -86.08 168.07 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -130.72 153.63 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CD1' HD12 ' A' ' 28' ' ' LEU . 29.3 m-85 -138.92 175.35 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -91.88 -53.86 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.3 t-80 -105.27 150.35 25.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -69.21 -56.15 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 p -35.69 -48.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 22.6 m-85 -63.06 -49.9 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 22' ' ' PHE . 17.7 tp -45.4 -45.11 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -53.52 -49.5 67.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 17.2 mmm180 -54.27 -40.24 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.4 t60 -67.77 -56.2 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -39.09 -25.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.4 mmm180 -50.1 -51.38 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 pt -47.51 -22.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 -92.89 27.76 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' GLY . 15.0 t -170.33 175.48 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.33 133.59 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -173.93 122.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -119.79 145.75 40.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.685 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 87.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -78.7 93.37 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.38 140.11 2.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.79 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 p -71.01 145.45 49.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -106.85 124.98 50.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.795 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.197 -0.779 . . . . 0.0 112.511 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -88.85 146.73 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -109.82 110.82 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.53 173.34 0.91 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -127.88 175.42 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.83 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 m -93.13 104.76 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.09 132.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 t -163.87 111.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 111.173 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.16 83.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -91.09 16.83 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -151.02 157.09 35.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -9.51 26.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 91.4 m-85 -116.32 100.62 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -133.53 129.27 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.65 148.22 51.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -103.8 -27.09 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -63.52 -50.82 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.07 -39.94 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 121.12 -26.04 6.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLY . 21.0 mtpt -36.1 153.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.64 145.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 28' ' ' LEU . 8.8 m-85 -132.8 173.13 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -90.91 -55.56 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.514 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -104.15 168.74 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.486 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.6 t30 -81.06 -49.2 11.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -42.62 -52.84 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.514 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 10.1 m-85 -60.23 -43.1 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 22' ' ' PHE . 46.8 tp -56.89 -55.25 36.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -45.27 -50.41 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -54.22 -44.29 71.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.0 t60 -63.88 -60.18 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.01 -26.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.2 mmm180 -48.32 -52.4 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -43.36 -24.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.0 m-70 -86.03 39.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -120.7 127.0 51.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.24 -121.48 1.06 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -49.44 159.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.05 155.69 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.11 39.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -158.36 133.27 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.47 83.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 152.12 69.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 m -94.4 -58.37 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t 39.72 41.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -145.48 112.49 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -42.98 153.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.57 -73.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -49.43 146.04 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 m -147.24 113.82 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.52 155.78 6.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -53.66 128.31 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.158 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.09 60.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.18 141.05 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -104.2 156.35 35.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -5.21 15.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.396 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 23' ' ' ARG . 70.3 m-85 -121.29 105.21 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -140.15 129.41 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -67.75 151.12 47.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -107.42 -31.12 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -63.4 -44.29 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.42 -41.99 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.46 -29.45 6.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -41.08 151.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 22' ' ' PHE . 29.6 t -117.63 148.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.1 m-85 -130.52 173.81 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 26.6 mtm180 -87.04 -57.59 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -109.71 167.14 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 42.8 t30 -70.13 -51.57 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . 40.8 t -36.24 -43.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -75.25 -39.06 60.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 25' ' ' ASN . 23.4 tp -62.92 -55.34 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -58.22 -53.93 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.84 -15.39 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 7.2 t60 -92.49 -55.39 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -46.89 -34.9 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -46.97 -32.96 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.5 pt -53.2 -36.13 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 -75.06 -57.32 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 t -83.58 40.75 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.22 -76.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -96.99 44.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -159.72 139.85 8.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.58 65.38 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -82.72 96.19 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.05 79.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.77 -43.84 2.42 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 31.3 p 35.78 42.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.0 p -146.57 143.7 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.442 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -12.26 32.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.2 m-85 -117.63 108.04 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 21' ' ' VAL . 38.3 tttt -140.5 133.3 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -70.78 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.33 -30.34 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 74.7 mm-40 -61.23 -53.68 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.27 -41.41 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.99 -23.66 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -45.36 157.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 14' ' ' LYS . 17.0 t -121.47 146.14 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 15.8 m-85 -128.13 170.98 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -91.94 -52.95 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.99 152.72 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.4 -48.93 78.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -39.06 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.44 -32.78 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' ASN . 22.1 tp -70.59 -55.7 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t -54.81 -50.81 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.7 ptm180 -60.61 -38.07 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.8 t60 -66.69 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -38.83 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.1 mmm180 -48.37 -48.94 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -47.84 -24.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 7.2 mptt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.515 0.674 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -11.09 30.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 81.8 m-85 -112.41 104.92 13.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.7 tttt -135.51 130.76 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.11 115.49 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -88.36 13.25 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -104.46 -33.28 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -123.9 -45.07 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 13.16 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -81.58 167.53 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 14' ' ' LYS . 18.3 t -135.8 146.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.7 155.58 47.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -78.66 -51.16 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -103.22 143.91 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.25 -45.87 90.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.8 t -42.56 -41.47 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.8 -35.76 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -68.59 -53.88 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -54.14 -55.38 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -51.78 -30.48 23.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -76.28 -44.49 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -48.85 -18.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -51.71 -51.55 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -55.34 -25.19 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 14.2 mmtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.566 0.698 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.5 28.69 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 97.6 m-85 -115.63 98.66 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.627 ' HG3' HG22 ' A' ' 21' ' ' VAL . 44.2 tttp -125.52 139.28 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -79.82 131.08 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.86 -16.52 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 52.1 mm-40 -69.69 -52.42 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -112.38 -44.05 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.52 -27.65 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -41.41 148.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.627 HG22 ' HG3' ' A' ' 14' ' ' LYS . 48.8 t -119.4 152.49 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.0 m-85 -139.92 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -78.75 -46.74 18.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -105.88 136.51 45.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.7 p30 -52.71 -46.38 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -38.91 -43.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.81 -36.0 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' ASN . 44.3 tp -69.27 -50.57 45.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -59.1 -47.53 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -65.92 -23.15 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 t60 -81.49 -56.52 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -38.75 -26.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.1 mtp180 -49.53 -49.6 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -53.99 -18.72 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.567 0.698 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.84 -4.39 13.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 83.2 m-85 -118.98 103.96 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 21' ' ' VAL . 62.0 tttt -140.65 129.65 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.11 131.84 46.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -99.78 14.06 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -109.24 -38.88 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 p -118.38 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.77 -21.12 6.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 t -120.12 149.76 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -140.46 153.57 46.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -73.79 -53.2 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -94.89 172.26 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 34.8 t30 -88.81 -38.76 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -52.87 -34.06 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.96 -30.6 58.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.59 -48.55 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -60.83 -55.99 26.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -53.62 -25.39 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -78.43 -45.72 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.97 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -51.32 -41.97 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -68.16 -18.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 64.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.72 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 95.0 m-85 -121.23 108.21 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HG3' HG22 ' A' ' 21' ' ' VAL . 11.4 ttpt -133.12 130.65 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.95 121.79 15.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.49 14.39 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -103.99 -36.71 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -130.97 -45.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.48 -26.41 2.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -38.44 155.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG22 ' HG3' ' A' ' 14' ' ' LYS . 1.6 t -135.55 149.63 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 1.7 m-85 -143.41 172.93 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -92.61 -58.14 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -93.83 135.56 35.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -53.28 -30.5 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -55.27 -45.76 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.47 -31.04 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.18 -40.53 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -67.47 -54.79 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -54.79 -19.59 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.4 t60 -86.54 -55.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -40.42 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.7 mtp180 -50.82 -43.91 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -48.26 -20.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HB2' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.05 34.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -115.43 99.91 7.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -117.97 148.74 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -81.0 117.61 21.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -86.53 14.55 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -109.26 -35.23 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -130.98 -41.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.71 -34.19 2.52 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -37.76 141.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 11' ' ' LYS . 2.2 t -118.06 145.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.1 m-85 -131.32 170.98 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -89.62 -39.53 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -115.71 149.64 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.3 p-10 -65.66 -48.21 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASN . 67.4 m -37.52 -59.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.5 m-85 -56.15 -50.6 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.67 -56.26 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -52.62 -52.73 54.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -54.98 -25.57 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.2 t60 -82.35 -57.49 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -39.87 -25.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.2 mtm180 -50.13 -45.85 53.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.16 -22.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 34' ' ' ILE . 31.0 m170 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.603 0.716 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.31 15.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 99.28 6.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -128.49 127.78 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.55 133.05 54.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -101.05 13.03 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 67.2 mm-40 -100.67 -36.16 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.26 -38.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 14.83 4.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 179.1 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.42 143.75 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -142.99 167.15 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -86.25 -56.08 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -103.2 143.95 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' SER . 15.5 t-20 -52.11 -50.68 61.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ASN . 13.3 t -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -55.07 -41.81 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 -33.76 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -65.83 -53.13 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -57.96 -13.12 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' ARG . 44.4 t60 -91.04 -58.15 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -39.32 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.4 mtm180 -49.28 -52.24 28.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.42 -17.32 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -5.17 15.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' HE1' HD21 ' A' ' 25' ' ' ASN . 82.5 m-85 -125.44 104.25 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.9 tttt -131.73 134.37 45.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -71.33 154.8 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.3 -36.07 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -55.63 -50.49 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -100.47 -38.56 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.97 29.18 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -97.68 171.88 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' HG3' ' A' ' 14' ' ' LYS . 7.6 t -131.14 154.55 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -137.39 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -110.05 22.5 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.1 t-80 -171.63 154.62 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.659 HD21 ' HE1' ' A' ' 13' ' ' TYR . 16.3 t-20 -77.54 -57.07 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -40.81 -47.77 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 15.9 m-85 -62.62 -41.46 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.81 -50.74 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 t -51.31 -46.76 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.0 mtp-105 -65.71 -30.95 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 25.6 t60 -70.71 -52.42 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -43.76 -22.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 4.4 mmp_? -48.41 -50.83 29.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 pt -52.29 -22.47 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.73 19.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.2 m-85 -117.35 101.66 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -134.09 127.7 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.78 145.67 55.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -101.41 -25.02 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.5 mm-40 -66.83 -49.8 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.18 -42.95 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 123.76 -27.86 5.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.454 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.0 mttt -35.81 139.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.9 t -110.38 153.32 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -139.16 150.65 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -77.27 -45.66 25.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -115.18 146.54 41.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -60.83 -45.84 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.2 m -39.88 -46.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.46 -41.81 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -54.85 -46.62 74.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 25.0 mtp85 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.0 t60 -65.12 -57.13 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -41.09 -24.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 25.8 mmm-85 -49.43 -50.53 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.0 pt -50.75 -19.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 91.3 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 61.6 m-85 -115.69 113.86 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -138.17 129.16 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.3 124.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -95.62 12.21 30.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mm-40 -99.25 -40.66 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -121.52 -48.71 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.3 27.16 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -91.31 179.5 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' TYR . 3.5 t -148.15 148.77 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -142.63 144.41 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -62.18 -54.18 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -110.31 143.93 39.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -37.69 -46.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -71.51 -53.86 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 32' ' ' GLN . 16.0 tp -42.76 -30.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -64.86 -53.15 51.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -55.72 -17.92 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 27.1 t60 -93.32 -68.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG3' HD11 ' A' ' 28' ' ' LEU . 21.2 mt-30 -36.0 -35.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 25.8 ptt85 -46.05 -48.3 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.4 pt -41.31 -29.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 6.9 mmpt? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.8 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.7 m-85 -118.42 107.56 13.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -136.79 137.86 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.5 148.65 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -29.19 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.8 mp0 -63.19 -46.35 87.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.8 -41.39 3.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 122.81 -31.12 4.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLY . 23.4 mttp -37.49 137.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 38.8 t -106.21 155.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 21' ' ' VAL . 12.1 m-85 -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.98 -47.27 25.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -119.25 152.38 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.6 t30 -66.62 -44.72 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -38.24 -56.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -62.76 -52.95 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -43.18 -45.85 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -54.06 -44.36 71.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -62.53 -29.17 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.2 t60 -80.25 -57.58 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -40.37 -25.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.8 mtp85 -48.62 -52.34 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -47.52 -25.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.8 mppt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 80.4 m-85 -126.35 115.14 19.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HG3' HG22 ' A' ' 21' ' ' VAL . 52.1 tttt -139.73 144.95 37.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.87 122.3 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -89.58 7.09 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.3 mp0 -94.14 -30.5 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.81 -49.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.87 -15.58 4.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.07 155.97 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 14' ' ' LYS . 22.7 t -128.57 152.63 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 5.2 m-85 -136.83 173.39 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -113.85 29.42 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.0 t-80 -170.78 160.88 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -84.5 -34.45 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -64.51 -27.33 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 4.8 m-85 -87.87 -29.1 21.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.65 -47.75 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.32 -47.92 82.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.32 -24.58 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 49.8 t60 -83.64 -55.88 4.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 84.5 mt-30 -38.44 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.5 mtp180 -49.82 -47.63 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 pt -52.8 -20.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mmtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -3.92 12.97 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.1 m-85 -125.67 103.75 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 21' ' ' VAL . 10.4 tttp -135.89 126.91 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -66.99 139.44 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.66 -24.55 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 79.3 mm-40 -61.54 -55.56 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.49 -41.02 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.65 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -92.71 167.24 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG3' ' A' ' 14' ' ' LYS . 8.9 t -129.26 148.54 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.5 m-85 -136.5 174.46 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.51 -53.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -113.53 152.28 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' SER . 60.3 t30 -64.65 -53.79 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 3.4 t -34.77 -50.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.66 -50.38 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.9 -52.4 57.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -40.24 -62.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -45.13 -45.42 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.5 t60 -64.13 -57.09 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -38.2 -28.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mmm180 -46.58 -55.39 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 pt -39.55 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.527 0.68 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 89.2 m-85 -116.8 114.42 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' HG22 ' A' ' 21' ' ' VAL . 24.1 tttt -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 43.1 t -86.84 135.88 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.61 -27.69 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' CD ' ' CB ' ' A' ' 35' ' ' HIS . 23.9 mt-10 -59.26 -53.3 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.33 -40.44 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.26 -28.82 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -40.51 157.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 14' ' ' LYS . 31.2 t -120.01 153.18 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.756 ' CD1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -136.97 162.64 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -92.68 -45.46 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.4 t-80 -116.16 140.72 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 p30 -56.74 -54.8 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 11.6 t -35.18 -56.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.7 m-85 -58.73 -54.98 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.756 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.7 tp -47.29 -46.37 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -46.55 -63.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 22.3 mtm105 -43.86 -37.06 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.1 t60 -72.79 -61.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.6 mt-30 -35.06 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.1 mtp180 -46.44 -53.34 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -40.24 -25.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CB ' ' CD ' ' A' ' 17' ' ' GLU . 41.4 m80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.9 mptp? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.56 0.695 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.75 -10.64 29.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.6 m-85 -120.63 113.63 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -140.99 140.05 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.94 142.72 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -99.24 -29.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.11 -49.81 74.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 120.0 -32.62 4.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 52.3 mttt -37.57 151.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 54.9 t -114.83 152.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.7 m-85 -135.16 151.96 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.5 -51.03 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -117.08 165.77 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -70.46 -46.48 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -40.38 -52.08 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -62.11 -43.77 98.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.92 -59.65 5.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m -43.9 -52.92 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.3 mtt-85 -57.3 -40.32 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.7 t60 -63.54 -58.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.4 mt-30 -37.59 -28.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.1 mmp_? -48.2 -48.64 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -49.71 -24.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 43.9 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -7.34 20.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.4 m-85 -120.66 108.9 14.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HG3' HG22 ' A' ' 21' ' ' VAL . 19.2 tttm -132.42 120.56 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -61.62 145.11 53.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -101.56 -35.59 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.7 mm-40 -52.87 -53.67 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -100.72 -36.87 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.68 5.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -97.05 -179.75 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 14' ' ' LYS . 16.9 t -137.01 151.03 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 28' ' ' LEU . 38.2 m-85 -137.98 174.77 10.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -89.66 -57.61 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 8.5 t-80 -109.78 155.28 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -66.56 -55.13 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.542 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 10.1 t -34.49 -50.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 9.1 m-85 -62.19 -46.08 90.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.9 tp -53.69 -45.4 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -49.23 -50.65 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 57.2 mtt-85 -57.74 -44.48 86.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.1 t60 -62.28 -61.3 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' HIS . 15.4 mm-40 -37.04 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 9.8 mmt180 -46.43 -50.73 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.7 pt -44.38 -27.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.1 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.556 0.693 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.75 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 87.1 m-85 -112.55 104.06 12.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -128.26 135.04 49.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -71.44 146.86 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -107.47 -26.09 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.6 mt-10 -68.8 -33.83 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 26.0 p -126.94 -43.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 124.12 -33.12 3.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' GLY . 47.6 mttt -35.86 133.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 t -102.47 149.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 11.5 m-85 -135.91 168.31 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -95.98 -50.71 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.4 t-80 -104.57 131.07 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 40.8 t-20 -49.38 -45.04 45.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -43.25 -44.54 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 13.0 m-85 -71.51 -31.3 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 34.3 tp -70.42 -53.65 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -55.21 -51.78 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -61.39 -20.68 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -84.2 -59.56 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -38.68 -26.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.1 mtt180 -47.41 -53.74 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -41.88 -23.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 52.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -4.71 14.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 88.8 m-85 -124.69 102.45 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HG3' HG22 ' A' ' 21' ' ' VAL . 54.8 tttt -129.93 128.69 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.76 147.07 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -103.39 -27.84 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 81.2 mm-40 -59.35 -56.77 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.44 -35.75 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.8 9.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -86.08 168.07 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG22 ' HG3' ' A' ' 14' ' ' LYS . 14.6 t -130.72 153.63 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 28' ' ' LEU . 29.3 m-85 -138.92 175.35 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -91.88 -53.86 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.3 t-80 -105.27 150.35 25.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.5 t-20 -69.21 -56.15 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 p -35.69 -48.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 22.6 m-85 -63.06 -49.9 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.7 tp -45.4 -45.11 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -53.52 -49.5 67.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 17.2 mmm180 -54.27 -40.24 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.4 t60 -67.77 -56.2 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -39.09 -25.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.4 mmm180 -50.1 -51.38 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 pt -47.51 -22.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -9.51 26.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 91.4 m-85 -116.32 100.62 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -133.53 129.27 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.65 148.22 51.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -103.8 -27.09 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.52 -50.82 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.07 -39.94 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 121.12 -26.04 6.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLY . 21.0 mtpt -36.1 153.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.64 145.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 28' ' ' LEU . 8.8 m-85 -132.8 173.13 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -90.91 -55.56 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -104.15 168.74 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.1 t-20 -81.06 -49.2 11.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -42.62 -52.84 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.539 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 10.1 m-85 -60.23 -43.1 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 22' ' ' PHE . 46.8 tp -56.89 -55.25 36.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -45.27 -50.41 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -54.22 -44.29 71.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.0 t60 -63.88 -60.18 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.01 -26.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.2 mmm180 -48.32 -52.4 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -43.36 -24.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' N ' HG13 ' A' ' 34' ' ' ILE . 31.9 m170 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.534 0.683 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -5.21 15.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.396 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 21' ' ' VAL . 70.3 m-85 -121.29 105.21 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG3' HG22 ' A' ' 21' ' ' VAL . 35.2 tttm -140.15 129.41 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -67.75 151.12 47.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -107.42 -31.12 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -63.4 -44.29 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.42 -41.99 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.46 -29.45 6.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -41.08 151.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 13' ' ' TYR . 29.6 t -117.63 148.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.1 m-85 -130.52 173.81 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 26.6 mtm180 -87.04 -57.59 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -109.71 167.14 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 42.8 t30 -70.13 -51.57 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . 40.8 t -36.24 -43.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -75.25 -39.06 60.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD11 ' NE2' ' A' ' 32' ' ' GLN . 23.4 tp -62.92 -55.34 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -58.22 -53.93 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.84 -15.39 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.884 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.2 t60 -92.49 -55.39 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' NE2' HD11 ' A' ' 28' ' ' LEU . 45.6 mt-30 -46.89 -34.9 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -46.97 -32.96 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.5 pt -53.2 -36.13 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 34' ' ' ILE . 19.0 m80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -86.98 81.66 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -109.73 87.67 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.97 106.27 0.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -55.07 -44.25 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -135.72 124.2 23.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.28 140.68 16.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 8' ' ' THR . 15.3 t -122.99 123.11 40.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.146 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.83 -175.04 16.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -90.42 -4.66 56.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -119.05 144.04 35.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -12.26 32.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.2 m-85 -117.63 108.04 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 21' ' ' VAL . 38.3 tttt -140.5 133.3 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -70.78 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.33 -30.34 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 74.7 mm-40 -61.23 -53.68 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.27 -41.41 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.99 -23.66 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -45.36 157.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 14' ' ' LYS . 17.0 t -121.47 146.14 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 15.8 m-85 -128.13 170.98 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -91.94 -52.95 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.99 152.72 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.4 -48.93 78.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -39.06 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.44 -32.78 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' ASN . 22.1 tp -70.59 -55.7 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t -54.81 -50.81 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.7 ptm180 -60.61 -38.07 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.8 t60 -66.69 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -38.83 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.1 mmm180 -48.37 -48.94 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -47.84 -24.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 -87.54 -66.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -45.9 169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.96 97.57 2.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.59 163.23 12.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 143.93 9.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 123.94 10.59 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -111.7 -52.75 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 146.17 16.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.87 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.5 p -108.48 -52.66 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 t -142.64 140.99 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -63.38 133.82 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -100.32 -49.09 4.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.31 -166.41 30.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -141.49 148.59 39.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -110.12 100.73 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.08 -111.36 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 m 54.36 53.21 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 111.162 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 172.44 47.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -123.95 79.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 7.2 mptt -50.12 143.95 11.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.515 0.674 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -11.09 30.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 81.8 m-85 -112.41 104.92 13.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.7 tttt -135.51 130.76 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.11 115.49 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -88.36 13.25 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -104.46 -33.28 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -123.9 -45.07 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 13.16 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -81.58 167.53 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 14' ' ' LYS . 18.3 t -135.8 146.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.7 155.58 47.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -78.66 -51.16 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -103.22 143.91 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.25 -45.87 90.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.8 t -42.56 -41.47 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.8 -35.76 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -68.59 -53.88 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -54.14 -55.38 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -51.78 -30.48 23.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -76.28 -44.49 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 36' ' ' THR . 73.4 mt-30 -48.85 -18.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -51.71 -51.55 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -55.34 -25.19 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.3 m-70 -84.17 -69.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.516 HG23 ' N ' ' A' ' 37' ' ' GLY . 5.4 t -56.75 -49.27 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.516 ' N ' HG23 ' A' ' 36' ' ' THR . . . 50.81 98.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 111.09 17.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 151.82 52.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.558 0.694 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.72 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.382 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.4 m -34.74 -50.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.51 68.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.96 1.0 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 t -86.27 111.61 20.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 t -146.74 165.2 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.444 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -64.48 132.63 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -172.74 119.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.83 81.64 1.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -119.58 129.94 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -66.84 96.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -126.06 -39.61 0.41 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.6 t -36.94 -40.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 8' ' ' THR . . . -40.44 135.6 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -110.77 41.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.971 0.415 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 14.2 mmtm -49.31 149.79 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.5 28.69 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 97.6 m-85 -115.63 98.66 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.627 ' HG3' HG22 ' A' ' 21' ' ' VAL . 44.2 tttp -125.52 139.28 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -79.82 131.08 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.86 -16.52 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 52.1 mm-40 -69.69 -52.42 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -112.38 -44.05 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.52 -27.65 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -41.41 148.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG22 ' HG3' ' A' ' 14' ' ' LYS . 48.8 t -119.4 152.49 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.0 m-85 -139.92 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -78.75 -46.74 18.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -105.88 136.51 45.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.7 p30 -52.71 -46.38 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -38.91 -43.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.81 -36.0 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' ASN . 44.3 tp -69.27 -50.57 45.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -59.1 -47.53 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -65.92 -23.15 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 t60 -81.49 -56.52 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -38.75 -26.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.1 mtp180 -49.53 -49.6 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -53.99 -18.72 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.0 m-70 -95.02 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 p -63.61 111.08 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.46 81.91 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -128.85 102.71 6.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.373 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -145.8 149.4 39.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.62 65.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -75.22 -50.8 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.27 172.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.43 69.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -83.75 122.27 28.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -110.02 95.84 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -151.9 176.84 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.377 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -99.37 171.46 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.76 106.19 0.53 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -152.9 119.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -38.7 152.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.93 -57.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.7 p -121.81 55.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 38.43 -140.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.31 50.05 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.375 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.41 147.06 1.48 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.84 -4.39 13.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 83.2 m-85 -118.98 103.96 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 21' ' ' VAL . 62.0 tttt -140.65 129.65 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.11 131.84 46.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -99.78 14.06 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -109.24 -38.88 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 p -118.38 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.77 -21.12 6.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 t -120.12 149.76 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -140.46 153.57 46.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -73.79 -53.2 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -94.89 172.26 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 34.8 t30 -88.81 -38.76 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -52.87 -34.06 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.96 -30.6 58.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.59 -48.55 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -60.83 -55.99 26.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -53.62 -25.39 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -78.43 -45.72 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.97 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -51.32 -41.97 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -68.16 -18.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 64.7 m-70 -86.68 -51.42 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -99.57 135.41 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.47 -89.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -120.29 130.48 54.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 156.2 42.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 -165.89 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 70.4 m -36.71 113.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.69 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -0.73 7.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -45.47 159.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -62.37 146.89 50.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -116.12 114.28 24.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -81.57 -59.68 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.84 134.81 1.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -106.77 -61.01 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 t -119.26 121.16 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.97 -176.79 33.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -101.02 120.75 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.55 137.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 2.7 pt-20 -152.33 123.93 7.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -96.68 159.09 32.48 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.72 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 95.0 m-85 -121.23 108.21 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HG3' HG22 ' A' ' 21' ' ' VAL . 11.4 ttpt -133.12 130.65 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.95 121.79 15.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.49 14.39 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 34.1 mm-40 -103.99 -36.71 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -130.97 -45.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.48 -26.41 2.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -38.44 155.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG22 ' HG3' ' A' ' 14' ' ' LYS . 1.6 t -135.55 149.63 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 1.7 m-85 -143.41 172.93 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -92.61 -58.14 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -93.83 135.56 35.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -53.28 -30.5 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -55.27 -45.76 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.47 -31.04 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.18 -40.53 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -67.47 -54.79 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -54.79 -19.59 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.4 t60 -86.54 -55.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -40.42 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.7 mtp180 -50.82 -43.91 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.2 pt -48.26 -20.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 34' ' ' ILE . 56.3 m-70 -96.71 -60.12 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -122.85 147.76 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.07 -135.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -130.35 119.33 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.95 0.405 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -100.02 143.26 26.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.3 Cg_endo -69.73 103.81 1.21 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.1 p -158.43 117.87 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.83 -158.32 15.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 102.54 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.1 t -122.48 90.11 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.8 p -42.5 -45.08 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -164.52 138.92 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -105.45 169.01 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 165.5 28.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -92.81 85.51 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -91.06 -38.22 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.37 144.91 16.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -141.44 109.22 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.23 61.33 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.5 -4.59 8.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HB2' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.64 152.91 81.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.05 34.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -115.43 99.91 7.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -117.97 148.74 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -81.0 117.61 21.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -86.53 14.55 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mt-10 -109.26 -35.23 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 31.2 p -130.98 -41.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.71 -34.19 2.52 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -37.76 141.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 11' ' ' LYS . 2.2 t -118.06 145.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.1 m-85 -131.32 170.98 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -89.62 -39.53 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -115.71 149.64 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.3 p-10 -65.66 -48.21 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASN . 67.4 m -37.52 -59.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.5 m-85 -56.15 -50.6 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.67 -56.26 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -52.62 -52.73 54.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -54.98 -25.57 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.2 t60 -82.35 -57.49 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -39.87 -25.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.2 mtm180 -50.13 -45.85 53.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.16 -22.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 36.9 m-70 -82.64 -56.41 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.7 p -82.34 60.03 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.15 -69.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -102.99 76.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.9 ttpt -107.03 143.26 26.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.586 0.707 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.79 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 40.6 p -119.18 -46.5 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.86 146.35 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -106.16 -55.47 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m 59.73 42.26 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.511 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 68.0 m -35.44 -53.61 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m 48.29 42.33 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 -175.4 45.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p 41.76 42.87 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -137.16 169.15 18.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.6 159.98 14.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.5 m -98.58 -60.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.79 144.51 40.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -126.53 145.49 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.26 156.89 41.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.31 15.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 99.28 6.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -128.49 127.78 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.55 133.05 54.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -101.05 13.03 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 67.2 mm-40 -100.67 -36.16 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.26 -38.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 14.83 4.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 179.1 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.42 143.75 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -142.99 167.15 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -86.25 -56.08 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -103.2 143.95 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' SER . 15.5 t-20 -52.11 -50.68 61.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ASN . 13.3 t -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -55.07 -41.81 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 -33.76 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -65.83 -53.13 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -57.96 -13.12 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' ARG . 44.4 t60 -91.04 -58.15 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -39.32 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.4 mtm180 -49.28 -52.24 28.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.42 -17.32 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.7 m-70 -99.24 -49.25 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 36' ' ' THR . 11.5 t -122.73 127.52 49.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.76 -121.6 1.96 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.27 117.8 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.9 tttm -90.53 143.11 28.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.686 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.77 143.19 50.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.8 p -150.85 137.44 18.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.21 172.76 23.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.81 68.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -69.07 119.44 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 p -61.72 150.28 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.482 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -70.6 82.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -166.96 169.33 13.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.04 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -42.18 154.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -121.44 113.57 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.77 157.69 45.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.7 p -88.21 163.23 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.61 -41.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 51.44 42.34 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 151.66 40.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -5.17 15.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' HE1' HD21 ' A' ' 25' ' ' ASN . 82.5 m-85 -125.44 104.25 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.9 tttt -131.73 134.37 45.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -71.33 154.8 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.3 -36.07 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -55.63 -50.49 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -100.47 -38.56 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.97 29.18 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -97.68 171.88 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' HG3' ' A' ' 14' ' ' LYS . 7.6 t -131.14 154.55 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -137.39 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -110.05 22.5 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.1 t-80 -171.63 154.62 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.659 HD21 ' HE1' ' A' ' 13' ' ' TYR . 16.3 t-20 -77.54 -57.07 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -40.81 -47.77 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 15.9 m-85 -62.62 -41.46 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.81 -50.74 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 t -51.31 -46.76 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.0 mtp-105 -65.71 -30.95 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 25.6 t60 -70.71 -52.42 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -43.76 -22.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 4.4 mmp_? -48.41 -50.83 29.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 pt -52.29 -22.47 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -91.77 -56.64 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 p -60.61 -9.36 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.63 -72.87 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -138.17 130.37 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -92.85 143.12 26.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -172.63 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 m -52.06 -47.65 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.52 74.77 1.02 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -42.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -67.31 166.26 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -164.16 162.75 22.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -122.8 -46.24 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 p -167.85 151.55 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 46.98 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -80.71 -48.94 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -95.35 94.27 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.01 169.82 13.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -73.82 151.42 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.49 90.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -111.09 -4.65 14.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -105.58 147.46 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.73 19.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.2 m-85 -117.35 101.66 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -134.09 127.7 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.78 145.67 55.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -101.41 -25.02 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.5 mm-40 -66.83 -49.8 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.18 -42.95 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 123.76 -27.86 5.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.454 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.0 mttt -35.81 139.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.9 t -110.38 153.32 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -139.16 150.65 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -77.27 -45.66 25.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -115.18 146.54 41.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -60.83 -45.84 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.2 m -39.88 -46.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.46 -41.81 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -54.85 -46.62 74.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 25.0 mtp85 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.0 t60 -65.12 -57.13 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -41.09 -24.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 25.8 mmm-85 -49.43 -50.53 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.0 pt -50.75 -19.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 91.3 m-70 -93.91 -68.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -50.12 -41.05 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.02 -143.34 48.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -124.67 163.72 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.949 0.404 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 143.98 91.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 88.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.4 p -90.89 -63.2 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.45 -170.41 15.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 103.86 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -45.72 146.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -126.19 133.13 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -96.27 163.9 12.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.8 t -94.51 163.59 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -34.35 110.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -52.82 133.58 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.39 56.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 p -128.92 38.39 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.4 127.35 9.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -87.6 32.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -121.31 143.88 38.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 61.6 m-85 -115.69 113.86 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -138.17 129.16 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.3 124.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -95.62 12.21 30.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mm-40 -99.25 -40.66 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -121.52 -48.71 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.3 27.16 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -91.31 179.5 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' TYR . 3.5 t -148.15 148.77 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -142.63 144.41 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -62.18 -54.18 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -110.31 143.93 39.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -37.69 -46.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -71.51 -53.86 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 32' ' ' GLN . 16.0 tp -42.76 -30.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -64.86 -53.15 51.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -55.72 -17.92 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 27.1 t60 -93.32 -68.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG3' HD11 ' A' ' 28' ' ' LEU . 21.2 mt-30 -36.0 -35.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 25.8 ptt85 -46.05 -48.3 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.4 pt -41.31 -29.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.4 m-70 -79.02 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.0 p -42.06 -45.12 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.98 -48.1 83.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.51 135.65 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.8 143.74 96.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 157.6 59.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.341 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 m -95.58 -41.72 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.66 83.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 87.7 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.254 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -107.96 -43.13 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.0 p -58.26 172.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -42.81 115.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -110.46 167.63 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.65 104.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -76.59 115.03 15.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -92.04 110.44 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.01 -104.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -90.02 111.79 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.29 -38.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -72.33 84.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 6.9 mmpt? -119.32 146.21 40.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.8 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.7 m-85 -118.42 107.56 13.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -136.79 137.86 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.5 148.65 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -29.19 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.8 mp0 -63.19 -46.35 87.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.8 -41.39 3.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 122.81 -31.12 4.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLY . 23.4 mttp -37.49 137.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 38.8 t -106.21 155.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 21' ' ' VAL . 12.1 m-85 -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.98 -47.27 25.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -119.25 152.38 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.6 t30 -66.62 -44.72 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -38.24 -56.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -62.76 -52.95 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -43.18 -45.85 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -54.06 -44.36 71.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -62.53 -29.17 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.2 t60 -80.25 -57.58 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -40.37 -25.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.8 mtp85 -48.62 -52.34 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -47.52 -25.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.6 m-70 -87.03 -53.04 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.2 p -78.06 84.72 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.01 -61.87 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -134.76 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 20.1 ttmm -85.42 139.4 36.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.694 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.81 155.56 65.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.21 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.5 p 37.84 47.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.94 146.33 11.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -83.18 -45.88 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.2 t -172.28 158.73 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.519 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -158.75 155.58 28.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 p -163.95 153.53 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.47 126.74 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -120.93 142.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -108.25 -42.52 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -43.7 -64.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.8 t -34.55 148.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.26 -173.88 48.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -115.7 134.84 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.901 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.8 mppt? -108.71 157.83 35.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 80.4 m-85 -126.35 115.14 19.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HG3' HG22 ' A' ' 21' ' ' VAL . 52.1 tttt -139.73 144.95 37.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.87 122.3 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -89.58 7.09 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.3 mp0 -94.14 -30.5 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.81 -49.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.87 -15.58 4.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.07 155.97 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 14' ' ' LYS . 22.7 t -128.57 152.63 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 5.2 m-85 -136.83 173.39 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -113.85 29.42 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.0 t-80 -170.78 160.88 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -84.5 -34.45 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -64.51 -27.33 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 4.8 m-85 -87.87 -29.1 21.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.65 -47.75 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.32 -47.92 82.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.32 -24.58 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 49.8 t60 -83.64 -55.88 4.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 84.5 mt-30 -38.44 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.5 mtp180 -49.82 -47.63 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 pt -52.8 -20.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.94 -47.46 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p -54.2 -46.24 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.3 -65.79 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LYS . 45.3 mm-40 -98.01 124.22 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 15.4 ttmm -36.99 139.5 0.48 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.687 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -34.3 14.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.9 m -158.74 165.22 34.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.58 -63.66 2.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.56 23.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -140.82 137.56 33.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -115.22 42.38 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -130.95 167.71 18.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -94.48 145.21 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 159.85 -40.3 0.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 73.4 m -36.08 112.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -150.09 150.35 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.11 -175.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -127.92 144.47 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 71.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -67.18 99.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mmtt -69.82 151.15 96.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -3.92 12.97 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.1 m-85 -125.67 103.75 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 21' ' ' VAL . 10.4 tttp -135.89 126.91 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -66.99 139.44 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.66 -24.55 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 79.3 mm-40 -61.54 -55.56 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.49 -41.02 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.65 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -92.71 167.24 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG3' ' A' ' 14' ' ' LYS . 8.9 t -129.26 148.54 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.5 m-85 -136.5 174.46 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.51 -53.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -113.53 152.28 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' SER . 60.3 t30 -64.65 -53.79 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 3.4 t -34.77 -50.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.66 -50.38 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.9 -52.4 57.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -40.24 -62.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -45.13 -45.42 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.5 t60 -64.13 -57.09 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -38.2 -28.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' O ' HG23 ' A' ' 36' ' ' THR . 26.5 mmm180 -46.58 -55.39 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 pt -39.55 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 -90.37 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 33' ' ' ARG . 16.2 p -106.06 -59.9 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.65 62.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -99.72 114.95 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE2' ' CA ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -51.65 141.37 25.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.54 0.686 . . . . 0.0 110.898 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.24 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -98.11 120.64 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' CA ' ' HE2' ' A' ' 39' ' ' LYS . . . -104.81 149.17 16.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.55 2.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -117.1 86.08 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.1 m -59.64 130.08 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.423 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -42.43 137.63 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.54 116.76 4.44 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.429 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m -70.05 108.35 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -81.44 80.71 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.01 -132.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -123.06 91.96 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.74 58.33 0.62 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -141.33 116.63 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.58 145.31 38.75 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.527 0.68 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 89.2 m-85 -116.8 114.42 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' HG22 ' A' ' 21' ' ' VAL . 24.1 tttt -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 43.1 t -86.84 135.88 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.61 -27.69 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 23.9 mt-10 -59.26 -53.3 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.33 -40.44 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.26 -28.82 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -40.51 157.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 14' ' ' LYS . 31.2 t -120.01 153.18 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.756 ' CD1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -136.97 162.64 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -92.68 -45.46 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.4 t-80 -116.16 140.72 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 p30 -56.74 -54.8 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 11.6 t -35.18 -56.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.7 m-85 -58.73 -54.98 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.756 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.7 tp -47.29 -46.37 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -46.55 -63.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 22.3 mtm105 -43.86 -37.06 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.1 t60 -72.79 -61.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.6 mt-30 -35.06 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.1 mtp180 -46.44 -53.34 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -40.24 -25.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 94.7 m-70 -93.38 -57.64 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.7 p -76.16 94.35 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.53 -85.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.95 105.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -118.59 151.01 49.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.54 21.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -39.8 133.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.65 63.31 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.515 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -46.11 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -93.79 42.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m 47.72 42.11 14.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.528 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 156.35 13.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -77.43 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.22 123.34 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -79.33 166.04 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -40.5 -61.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.9 122.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -114.47 111.09 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.54 98.07 2.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.491 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -142.74 119.37 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.9 mptp? -82.86 160.05 61.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.56 0.695 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.75 -10.64 29.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.6 m-85 -120.63 113.63 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -140.99 140.05 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.94 142.72 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -99.24 -29.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.11 -49.81 74.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 120.0 -32.62 4.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 52.3 mttt -37.57 151.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 54.9 t -114.83 152.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.7 m-85 -135.16 151.96 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.5 -51.03 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -117.08 165.77 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.4 p-10 -70.46 -46.48 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -40.38 -52.08 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -62.11 -43.77 98.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.92 -59.65 5.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m -43.9 -52.92 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.3 mtt-85 -57.3 -40.32 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.7 t60 -63.54 -58.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.4 mt-30 -37.59 -28.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.1 mmp_? -48.2 -48.64 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -49.71 -24.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 43.9 m-70 -83.29 -44.98 14.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.1 p -81.49 42.96 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.3 -116.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.439 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.37 61.54 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 82.9 6.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.44 27.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -77.66 143.66 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.12 69.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -76.86 100.73 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -48.46 176.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.461 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -73.61 177.9 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.816 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.09 176.8 28.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -99.85 127.95 45.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -75.44 -46.51 32.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.37 89.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -134.92 157.94 45.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 168.2 24.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -127.02 129.97 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.18 152.57 84.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -7.34 20.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.4 m-85 -120.66 108.9 14.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HG3' HG22 ' A' ' 21' ' ' VAL . 19.2 tttm -132.42 120.56 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -61.62 145.11 53.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -101.56 -35.59 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.7 mm-40 -52.87 -53.67 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -100.72 -36.87 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.68 5.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -97.05 -179.75 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 14' ' ' LYS . 16.9 t -137.01 151.03 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 28' ' ' LEU . 38.2 m-85 -137.98 174.77 10.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -89.66 -57.61 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 8.5 t-80 -109.78 155.28 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -66.56 -55.13 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.542 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 10.1 t -34.49 -50.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 9.1 m-85 -62.19 -46.08 90.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.9 tp -53.69 -45.4 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -49.23 -50.65 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 57.2 mtt-85 -57.74 -44.48 86.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.1 t60 -62.28 -61.3 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' HIS . 15.4 mm-40 -37.04 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 9.8 mmt180 -46.43 -50.73 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.7 pt -44.38 -27.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.1 m-70 -89.94 -58.64 2.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.8 p -43.06 -46.96 5.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.45 -59.53 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.6 91.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.0 152.58 25.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.07 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 m -162.1 153.18 17.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -95.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -155.21 138.61 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.7 p -155.46 161.06 41.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.461 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -172.91 149.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 p -105.46 166.45 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.33 -172.51 13.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -149.9 118.48 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -142.83 162.76 34.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.68 -147.86 4.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 p -142.04 144.38 33.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 -166.79 37.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.72 40.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -141.47 144.6 34.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.556 0.693 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.75 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 87.1 m-85 -112.55 104.06 12.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -128.26 135.04 49.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -71.44 146.86 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -107.47 -26.09 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.6 mt-10 -68.8 -33.83 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 26.0 p -126.94 -43.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 124.12 -33.12 3.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' GLY . 47.6 mttt -35.86 133.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 t -102.47 149.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 11.5 m-85 -135.91 168.31 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -95.98 -50.71 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.4 t-80 -104.57 131.07 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 40.8 t-20 -49.38 -45.04 45.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -43.25 -44.54 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 13.0 m-85 -71.51 -31.3 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 34.3 tp -70.42 -53.65 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -55.21 -51.78 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -61.39 -20.68 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -84.2 -59.56 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -38.68 -26.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.1 mtt180 -47.41 -53.74 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -41.88 -23.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 52.8 m-70 -87.0 -62.42 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.71 99.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.91 56.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -168.45 170.87 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -58.31 143.96 78.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.74 9.42 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -97.4 37.35 1.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.53 160.99 22.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.7 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.7 p -58.55 79.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' PRO . 71.2 m -133.26 89.5 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.456 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m 60.02 43.47 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -143.08 150.15 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.8 86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -105.89 -47.12 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -80.56 173.29 12.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.81 -73.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -107.64 156.22 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.32 154.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -171.34 130.4 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -68.79 161.31 72.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -4.71 14.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 88.8 m-85 -124.69 102.45 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HG3' HG22 ' A' ' 21' ' ' VAL . 54.8 tttt -129.93 128.69 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.76 147.07 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -103.39 -27.84 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 81.2 mm-40 -59.35 -56.77 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.44 -35.75 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.8 9.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -86.08 168.07 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG22 ' HG3' ' A' ' 14' ' ' LYS . 14.6 t -130.72 153.63 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 28' ' ' LEU . 29.3 m-85 -138.92 175.35 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -91.88 -53.86 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.3 t-80 -105.27 150.35 25.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.5 t-20 -69.21 -56.15 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 p -35.69 -48.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 22.6 m-85 -63.06 -49.9 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.7 tp -45.4 -45.11 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -53.52 -49.5 67.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 17.2 mmm180 -54.27 -40.24 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.4 t60 -67.77 -56.2 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -39.09 -25.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.4 mmm180 -50.1 -51.38 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 pt -47.51 -22.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 -92.89 27.76 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 33' ' ' ARG . 15.0 t -170.33 175.48 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.33 133.59 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -173.93 122.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -119.79 145.75 40.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.685 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 87.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -78.7 93.37 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.38 140.11 2.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.79 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 p -71.01 145.45 49.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -106.85 124.98 50.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.795 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.197 -0.779 . . . . 0.0 112.511 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -88.85 146.73 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -109.82 110.82 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.53 173.34 0.91 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -127.88 175.42 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.83 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 m -93.13 104.76 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.09 132.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 8' ' ' THR . 7.3 t -163.87 111.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 111.173 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.16 83.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -91.09 16.83 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -151.02 157.09 35.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -9.51 26.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 91.4 m-85 -116.32 100.62 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -133.53 129.27 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.65 148.22 51.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -103.8 -27.09 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -63.52 -50.82 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.07 -39.94 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 121.12 -26.04 6.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLY . 21.0 mtpt -36.1 153.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.64 145.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 28' ' ' LEU . 8.8 m-85 -132.8 173.13 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -90.91 -55.56 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -104.15 168.74 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.1 t-20 -81.06 -49.2 11.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -42.62 -52.84 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.539 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 10.1 m-85 -60.23 -43.1 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 22' ' ' PHE . 46.8 tp -56.89 -55.25 36.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -45.27 -50.41 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -54.22 -44.29 71.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.0 t60 -63.88 -60.18 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.01 -26.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' O ' HG23 ' A' ' 36' ' ' THR . 17.2 mmm180 -48.32 -52.4 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -43.36 -24.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.0 m-70 -86.03 39.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 33' ' ' ARG . 41.5 p -120.7 127.0 51.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.24 -121.48 1.06 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -49.44 159.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.05 155.69 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.11 39.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -158.36 133.27 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.47 83.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 152.12 69.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 m -94.4 -58.37 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t 39.72 41.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -145.48 112.49 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -42.98 153.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.57 -73.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -49.43 146.04 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 m -147.24 113.82 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.52 155.78 6.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -53.66 128.31 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.158 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.09 60.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.18 141.05 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -104.2 156.35 35.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -5.21 15.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.396 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 21' ' ' VAL . 70.3 m-85 -121.29 105.21 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG3' HG22 ' A' ' 21' ' ' VAL . 35.2 tttm -140.15 129.41 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -67.75 151.12 47.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -107.42 -31.12 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -63.4 -44.29 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.42 -41.99 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.46 -29.45 6.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -41.08 151.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 13' ' ' TYR . 29.6 t -117.63 148.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.1 m-85 -130.52 173.81 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 26.6 mtm180 -87.04 -57.59 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -109.71 167.14 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 42.8 t30 -70.13 -51.57 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . 40.8 t -36.24 -43.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -75.25 -39.06 60.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD11 ' NE2' ' A' ' 32' ' ' GLN . 23.4 tp -62.92 -55.34 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -58.22 -53.93 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.84 -15.39 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.884 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.2 t60 -92.49 -55.39 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' NE2' HD11 ' A' ' 28' ' ' LEU . 45.6 mt-30 -46.89 -34.9 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -46.97 -32.96 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.5 pt -53.2 -36.13 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 -75.06 -57.32 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 t -83.58 40.75 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.22 -76.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -96.99 44.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -159.72 139.85 8.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.58 65.38 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -82.72 96.19 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.05 79.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.77 -43.84 2.42 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 31.3 p 35.78 42.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.0 p -146.57 143.7 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.442 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -12.26 32.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.2 m-85 -117.63 108.04 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 21' ' ' VAL . 38.3 tttt -140.5 133.3 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -70.78 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.33 -30.34 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 74.7 mm-40 -61.23 -53.68 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.27 -41.41 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.99 -23.66 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -45.36 157.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 14' ' ' LYS . 17.0 t -121.47 146.14 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 15.8 m-85 -128.13 170.98 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -91.94 -52.95 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.99 152.72 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.4 -48.93 78.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -39.06 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.44 -32.78 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' ASN . 22.1 tp -70.59 -55.7 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t -54.81 -50.81 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.7 ptm180 -60.61 -38.07 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.8 t60 -66.69 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -38.83 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.1 mmm180 -48.37 -48.94 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -47.84 -24.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 7.2 mptt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.515 0.674 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -11.09 30.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 81.8 m-85 -112.41 104.92 13.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.7 tttt -135.51 130.76 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.11 115.49 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -88.36 13.25 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -104.46 -33.28 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -123.9 -45.07 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 13.16 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -81.58 167.53 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 14' ' ' LYS . 18.3 t -135.8 146.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.7 155.58 47.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -78.66 -51.16 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -103.22 143.91 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.25 -45.87 90.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.8 t -42.56 -41.47 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.8 -35.76 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -68.59 -53.88 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -54.14 -55.38 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -51.78 -30.48 23.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -76.28 -44.49 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -48.85 -18.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -51.71 -51.55 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -55.34 -25.19 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.3 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 14.2 mmtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.566 0.698 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.5 28.69 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 97.6 m-85 -115.63 98.66 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.627 ' HG3' HG22 ' A' ' 21' ' ' VAL . 44.2 tttp -125.52 139.28 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -79.82 131.08 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.86 -16.52 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 52.1 mm-40 -69.69 -52.42 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -112.38 -44.05 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.52 -27.65 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -41.41 148.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.627 HG22 ' HG3' ' A' ' 14' ' ' LYS . 48.8 t -119.4 152.49 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.0 m-85 -139.92 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -78.75 -46.74 18.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -105.88 136.51 45.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.7 p30 -52.71 -46.38 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -38.91 -43.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.81 -36.0 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' ASN . 44.3 tp -69.27 -50.57 45.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -59.1 -47.53 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -65.92 -23.15 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 t60 -81.49 -56.52 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -38.75 -26.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.1 mtp180 -49.53 -49.6 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -53.99 -18.72 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.567 0.698 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.84 -4.39 13.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 83.2 m-85 -118.98 103.96 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 21' ' ' VAL . 62.0 tttt -140.65 129.65 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.11 131.84 46.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -99.78 14.06 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -109.24 -38.88 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 p -118.38 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.77 -21.12 6.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 t -120.12 149.76 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -140.46 153.57 46.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -73.79 -53.2 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -94.89 172.26 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 34.8 t30 -88.81 -38.76 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -52.87 -34.06 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.96 -30.6 58.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.59 -48.55 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -60.83 -55.99 26.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -53.62 -25.39 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -78.43 -45.72 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.97 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -51.32 -41.97 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -68.16 -18.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 64.7 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.72 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 95.0 m-85 -121.23 108.21 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HG3' HG22 ' A' ' 21' ' ' VAL . 11.4 ttpt -133.12 130.65 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.95 121.79 15.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.49 14.39 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 34.1 mm-40 -103.99 -36.71 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -130.97 -45.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.48 -26.41 2.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -38.44 155.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG22 ' HG3' ' A' ' 14' ' ' LYS . 1.6 t -135.55 149.63 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 1.7 m-85 -143.41 172.93 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -92.61 -58.14 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -93.83 135.56 35.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -53.28 -30.5 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -55.27 -45.76 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.47 -31.04 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.18 -40.53 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -67.47 -54.79 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -54.79 -19.59 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.4 t60 -86.54 -55.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -40.42 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.7 mtp180 -50.82 -43.91 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.2 pt -48.26 -20.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 34' ' ' ILE . 56.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HB2' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.05 34.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -115.43 99.91 7.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -117.97 148.74 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -81.0 117.61 21.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -86.53 14.55 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mt-10 -109.26 -35.23 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 31.2 p -130.98 -41.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.71 -34.19 2.52 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -37.76 141.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 11' ' ' LYS . 2.2 t -118.06 145.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.1 m-85 -131.32 170.98 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -89.62 -39.53 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -115.71 149.64 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.3 p-10 -65.66 -48.21 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASN . 67.4 m -37.52 -59.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.5 m-85 -56.15 -50.6 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.67 -56.26 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -52.62 -52.73 54.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -54.98 -25.57 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.2 t60 -82.35 -57.49 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -39.87 -25.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.2 mtm180 -50.13 -45.85 53.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.16 -22.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 36.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.603 0.716 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.31 15.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 99.28 6.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -128.49 127.78 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.55 133.05 54.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -101.05 13.03 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 67.2 mm-40 -100.67 -36.16 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.26 -38.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 14.83 4.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 179.1 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.42 143.75 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -142.99 167.15 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -86.25 -56.08 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -103.2 143.95 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' SER . 15.5 t-20 -52.11 -50.68 61.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ASN . 13.3 t -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -55.07 -41.81 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 -33.76 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -65.83 -53.13 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -57.96 -13.12 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' ARG . 44.4 t60 -91.04 -58.15 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -39.32 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.4 mtm180 -49.28 -52.24 28.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.42 -17.32 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -5.17 15.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 82.5 m-85 -125.44 104.25 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.9 tttt -131.73 134.37 45.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -71.33 154.8 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.3 -36.07 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -55.63 -50.49 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -100.47 -38.56 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.97 29.18 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -97.68 171.88 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' HG3' ' A' ' 14' ' ' LYS . 7.6 t -131.14 154.55 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -137.39 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -110.05 22.5 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.1 t-80 -171.63 154.62 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -57.07 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -40.81 -47.77 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 15.9 m-85 -62.62 -41.46 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.81 -50.74 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 t -51.31 -46.76 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.0 mtp-105 -65.71 -30.95 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 25.6 t60 -70.71 -52.42 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -43.76 -22.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 4.4 mmp_? -48.41 -50.83 29.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 pt -52.29 -22.47 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.73 19.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.2 m-85 -117.35 101.66 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -134.09 127.7 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.78 145.67 55.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -101.41 -25.02 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.5 mm-40 -66.83 -49.8 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.18 -42.95 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 123.76 -27.86 5.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.454 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.0 mttt -35.81 139.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.9 t -110.38 153.32 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -139.16 150.65 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -77.27 -45.66 25.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -115.18 146.54 41.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -60.83 -45.84 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.2 m -39.88 -46.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.46 -41.81 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -54.85 -46.62 74.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 25.0 mtp85 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.0 t60 -65.12 -57.13 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -41.09 -24.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 25.8 mmm-85 -49.43 -50.53 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.0 pt -50.75 -19.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 91.3 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 61.6 m-85 -115.69 113.86 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -138.17 129.16 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.3 124.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -95.62 12.21 30.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mm-40 -99.25 -40.66 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -121.52 -48.71 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.3 27.16 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -91.31 179.5 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' TYR . 3.5 t -148.15 148.77 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -142.63 144.41 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -62.18 -54.18 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -110.31 143.93 39.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -37.69 -46.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -71.51 -53.86 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 32' ' ' GLN . 16.0 tp -42.76 -30.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -64.86 -53.15 51.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -55.72 -17.92 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 27.1 t60 -93.32 -68.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG3' HD11 ' A' ' 28' ' ' LEU . 21.2 mt-30 -36.0 -35.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 25.8 ptt85 -46.05 -48.3 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.4 pt -41.31 -29.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 6.9 mmpt? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.8 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.7 m-85 -118.42 107.56 13.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -136.79 137.86 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.5 148.65 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -29.19 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.8 mp0 -63.19 -46.35 87.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.8 -41.39 3.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 122.81 -31.12 4.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLY . 23.4 mttp -37.49 137.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 38.8 t -106.21 155.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 21' ' ' VAL . 12.1 m-85 -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.98 -47.27 25.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -119.25 152.38 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.6 t30 -66.62 -44.72 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -38.24 -56.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -62.76 -52.95 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -43.18 -45.85 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -54.06 -44.36 71.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -62.53 -29.17 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.2 t60 -80.25 -57.58 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -40.37 -25.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.8 mtp85 -48.62 -52.34 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -47.52 -25.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.8 mppt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 80.4 m-85 -126.35 115.14 19.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HG3' HG22 ' A' ' 21' ' ' VAL . 52.1 tttt -139.73 144.95 37.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.87 122.3 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -89.58 7.09 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.3 mp0 -94.14 -30.5 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.81 -49.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.87 -15.58 4.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.07 155.97 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 14' ' ' LYS . 22.7 t -128.57 152.63 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 5.2 m-85 -136.83 173.39 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -113.85 29.42 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.0 t-80 -170.78 160.88 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -84.5 -34.45 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -64.51 -27.33 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 4.8 m-85 -87.87 -29.1 21.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.65 -47.75 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.32 -47.92 82.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.32 -24.58 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 49.8 t60 -83.64 -55.88 4.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 84.5 mt-30 -38.44 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.5 mtp180 -49.82 -47.63 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 pt -52.8 -20.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mmtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -3.92 12.97 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.1 m-85 -125.67 103.75 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 21' ' ' VAL . 10.4 tttp -135.89 126.91 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -66.99 139.44 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.66 -24.55 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 79.3 mm-40 -61.54 -55.56 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.49 -41.02 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.65 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -92.71 167.24 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG3' ' A' ' 14' ' ' LYS . 8.9 t -129.26 148.54 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.5 m-85 -136.5 174.46 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.51 -53.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -113.53 152.28 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' SER . 60.3 t30 -64.65 -53.79 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 3.4 t -34.77 -50.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.66 -50.38 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.9 -52.4 57.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -40.24 -62.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -45.13 -45.42 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.5 t60 -64.13 -57.09 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -38.2 -28.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.5 mmm180 -46.58 -55.39 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 pt -39.55 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.527 0.68 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 89.2 m-85 -116.8 114.42 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' HG22 ' A' ' 21' ' ' VAL . 24.1 tttt -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 43.1 t -86.84 135.88 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.61 -27.69 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 23.9 mt-10 -59.26 -53.3 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.33 -40.44 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.26 -28.82 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -40.51 157.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 14' ' ' LYS . 31.2 t -120.01 153.18 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.756 ' CD1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -136.97 162.64 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -92.68 -45.46 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.4 t-80 -116.16 140.72 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 p30 -56.74 -54.8 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 11.6 t -35.18 -56.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.7 m-85 -58.73 -54.98 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.756 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.7 tp -47.29 -46.37 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -46.55 -63.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 22.3 mtm105 -43.86 -37.06 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.1 t60 -72.79 -61.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.6 mt-30 -35.06 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.1 mtp180 -46.44 -53.34 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -40.24 -25.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 94.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.9 mptp? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.56 0.695 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.75 -10.64 29.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.6 m-85 -120.63 113.63 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -140.99 140.05 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.94 142.72 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -99.24 -29.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.11 -49.81 74.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 120.0 -32.62 4.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 52.3 mttt -37.57 151.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 54.9 t -114.83 152.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.7 m-85 -135.16 151.96 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.5 -51.03 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -117.08 165.77 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 25' ' ' ASN . 1.0 OUTLIER -70.46 -46.48 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -40.38 -52.08 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -62.11 -43.77 98.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.92 -59.65 5.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m -43.9 -52.92 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.3 mtt-85 -57.3 -40.32 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.7 t60 -63.54 -58.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.4 mt-30 -37.59 -28.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.1 mmp_? -48.2 -48.64 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -49.71 -24.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 43.9 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -7.34 20.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.4 m-85 -120.66 108.9 14.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HG3' HG22 ' A' ' 21' ' ' VAL . 19.2 tttm -132.42 120.56 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -61.62 145.11 53.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -101.56 -35.59 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.7 mm-40 -52.87 -53.67 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -100.72 -36.87 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.68 5.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -97.05 -179.75 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 14' ' ' LYS . 16.9 t -137.01 151.03 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 28' ' ' LEU . 38.2 m-85 -137.98 174.77 10.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -89.66 -57.61 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 8.5 t-80 -109.78 155.28 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -66.56 -55.13 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.542 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 10.1 t -34.49 -50.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 9.1 m-85 -62.19 -46.08 90.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.9 tp -53.69 -45.4 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -49.23 -50.65 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 57.2 mtt-85 -57.74 -44.48 86.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.1 t60 -62.28 -61.3 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' HIS . 15.4 mm-40 -37.04 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 9.8 mmt180 -46.43 -50.73 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.7 pt -44.38 -27.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.1 m-70 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.556 0.693 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.75 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 87.1 m-85 -112.55 104.06 12.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -128.26 135.04 49.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -71.44 146.86 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -107.47 -26.09 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.6 mt-10 -68.8 -33.83 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 26.0 p -126.94 -43.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 124.12 -33.12 3.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' GLY . 47.6 mttt -35.86 133.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 t -102.47 149.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 11.5 m-85 -135.91 168.31 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -95.98 -50.71 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.4 t-80 -104.57 131.07 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 40.8 t-20 -49.38 -45.04 45.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -43.25 -44.54 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 13.0 m-85 -71.51 -31.3 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 34.3 tp -70.42 -53.65 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -55.21 -51.78 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -61.39 -20.68 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -84.2 -59.56 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -38.68 -26.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.1 mtt180 -47.41 -53.74 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -41.88 -23.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 52.8 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -4.71 14.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 88.8 m-85 -124.69 102.45 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HG3' HG22 ' A' ' 21' ' ' VAL . 54.8 tttt -129.93 128.69 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.76 147.07 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -103.39 -27.84 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 81.2 mm-40 -59.35 -56.77 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.44 -35.75 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.8 9.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -86.08 168.07 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG22 ' HG3' ' A' ' 14' ' ' LYS . 14.6 t -130.72 153.63 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 28' ' ' LEU . 29.3 m-85 -138.92 175.35 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -91.88 -53.86 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.3 t-80 -105.27 150.35 25.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -69.21 -56.15 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 p -35.69 -48.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 22.6 m-85 -63.06 -49.9 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.7 tp -45.4 -45.11 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -53.52 -49.5 67.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 17.2 mmm180 -54.27 -40.24 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.4 t60 -67.77 -56.2 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -39.09 -25.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.4 mmm180 -50.1 -51.38 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 pt -47.51 -22.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -9.51 26.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 91.4 m-85 -116.32 100.62 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -133.53 129.27 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.65 148.22 51.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -103.8 -27.09 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -63.52 -50.82 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.07 -39.94 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 121.12 -26.04 6.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLY . 21.0 mtpt -36.1 153.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.64 145.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 28' ' ' LEU . 8.8 m-85 -132.8 173.13 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -90.91 -55.56 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -104.15 168.74 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.6 t30 -81.06 -49.2 11.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -42.62 -52.84 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.539 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 10.1 m-85 -60.23 -43.1 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 22' ' ' PHE . 46.8 tp -56.89 -55.25 36.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -45.27 -50.41 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -54.22 -44.29 71.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.0 t60 -63.88 -60.18 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.01 -26.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' HIS . 17.2 mmm180 -48.32 -52.4 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -43.36 -24.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.0 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.534 0.683 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -5.21 15.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.396 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 21' ' ' VAL . 70.3 m-85 -121.29 105.21 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG3' HG22 ' A' ' 21' ' ' VAL . 35.2 tttm -140.15 129.41 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -67.75 151.12 47.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -107.42 -31.12 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -63.4 -44.29 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.42 -41.99 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.46 -29.45 6.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -41.08 151.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 13' ' ' TYR . 29.6 t -117.63 148.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.1 m-85 -130.52 173.81 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 26.6 mtm180 -87.04 -57.59 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -109.71 167.14 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 42.8 t30 -70.13 -51.57 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . 40.8 t -36.24 -43.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -75.25 -39.06 60.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD11 ' NE2' ' A' ' 32' ' ' GLN . 23.4 tp -62.92 -55.34 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -58.22 -53.93 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.84 -15.39 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.884 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.2 t60 -92.49 -55.39 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' NE2' HD11 ' A' ' 28' ' ' LEU . 45.6 mt-30 -46.89 -34.9 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -46.97 -32.96 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.5 pt -53.2 -36.13 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -86.98 81.66 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -109.73 87.67 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.97 106.27 0.51 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -55.07 -44.25 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -135.72 124.2 23.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.28 140.68 16.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 8' ' ' THR . 15.3 t -122.99 123.11 40.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.146 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.83 -175.04 16.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -90.42 -4.66 56.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -119.05 144.04 35.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.556 0.693 . . . . 0.0 110.887 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -12.26 32.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.2 m-85 -117.63 108.04 14.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 21' ' ' VAL . 38.3 tttt -140.5 133.3 29.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -70.78 147.84 48.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.33 -30.34 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 74.7 mm-40 -61.23 -53.68 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.27 -41.41 7.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.99 -23.66 9.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -45.36 157.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 14' ' ' LYS . 17.0 t -121.47 146.14 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 15.8 m-85 -128.13 170.98 12.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -91.94 -52.95 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.99 152.72 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.4 -48.93 78.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.2 m -39.06 -49.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.44 -32.78 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 25' ' ' ASN . 22.1 tp -70.59 -55.7 8.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 t -54.81 -50.81 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 13.7 ptm180 -60.61 -38.07 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.8 t60 -66.69 -59.25 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -38.83 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.1 mmm180 -48.37 -48.94 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 12.3 pt -47.84 -24.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 -87.54 -66.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.4 p -45.9 169.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.96 97.57 2.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -168.59 163.23 12.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 143.93 9.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 123.94 10.59 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -111.7 -52.75 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.65 146.17 16.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.87 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.5 p -108.48 -52.66 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 t -142.64 140.99 31.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.489 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -63.38 133.82 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 m -100.32 -49.09 4.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.31 -166.41 30.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -141.49 148.59 39.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -110.12 100.73 9.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.08 -111.36 2.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 m 54.36 53.21 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 111.162 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 172.44 47.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -123.95 79.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 7.2 mptt -50.12 143.95 11.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.515 0.674 . . . . 0.0 110.957 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -11.09 30.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 81.8 m-85 -112.41 104.92 13.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.636 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.7 tttt -135.51 130.76 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -62.11 115.49 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -88.36 13.25 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -104.46 -33.28 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -123.9 -45.07 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 13.16 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -81.58 167.53 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 14' ' ' LYS . 18.3 t -135.8 146.4 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -139.7 155.58 47.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -78.66 -51.16 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -103.22 143.91 32.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.25 -45.87 90.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.8 t -42.56 -41.47 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.8 -35.76 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -68.59 -53.88 20.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -54.14 -55.38 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -51.78 -30.48 23.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -76.28 -44.49 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 36' ' ' THR . 73.4 mt-30 -48.85 -18.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -51.71 -51.55 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -55.34 -25.19 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 67.3 m-70 -84.17 -69.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.516 HG23 ' N ' ' A' ' 37' ' ' GLY . 5.4 t -56.75 -49.27 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.516 ' N ' HG23 ' A' ' 36' ' ' THR . . . 50.81 98.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 111.09 17.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 151.82 52.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.558 0.694 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.72 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.382 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.4 m -34.74 -50.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.51 68.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.96 1.0 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.732 2.288 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 t -86.27 111.61 20.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 t -146.74 165.2 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.444 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -64.48 132.63 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -172.74 119.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.83 81.64 1.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -119.58 129.94 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -66.84 96.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -126.06 -39.61 0.41 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 8.6 t -36.94 -40.65 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 8' ' ' THR . . . -40.44 135.6 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -110.77 41.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.971 0.415 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 14.2 mmtm -49.31 149.79 3.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.5 28.69 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.379 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 97.6 m-85 -115.63 98.66 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.627 ' HG3' HG22 ' A' ' 21' ' ' VAL . 44.2 tttp -125.52 139.28 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 t -79.82 131.08 35.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -91.86 -16.52 26.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 52.1 mm-40 -69.69 -52.42 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.2 p -112.38 -44.05 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.52 -27.65 4.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -41.41 148.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG22 ' HG3' ' A' ' 14' ' ' LYS . 48.8 t -119.4 152.49 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 8.0 m-85 -139.92 151.92 45.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -78.75 -46.74 18.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -105.88 136.51 45.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 1.7 p30 -52.71 -46.38 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -38.91 -43.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.81 -36.0 75.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' ASN . 44.3 tp -69.27 -50.57 45.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -59.1 -47.53 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -65.92 -23.15 66.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 t60 -81.49 -56.52 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -38.75 -26.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.1 mtp180 -49.53 -49.6 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -53.99 -18.72 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.0 m-70 -95.02 -58.28 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 p -63.61 111.08 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.46 81.91 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -128.85 102.71 6.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.373 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -145.8 149.4 39.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 148.62 65.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.5 m -75.22 -50.8 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.27 172.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.43 69.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -83.75 122.27 28.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -110.02 95.84 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -151.9 176.84 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.377 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -99.37 171.46 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.76 106.19 0.53 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -152.9 119.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -38.7 152.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.93 -57.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.7 p -121.81 55.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 38.43 -140.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.31 50.05 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.375 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.41 147.06 1.48 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.84 -4.39 13.99 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 83.2 m-85 -118.98 103.96 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 21' ' ' VAL . 62.0 tttt -140.65 129.65 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -55.11 131.84 46.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -99.78 14.06 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 11.4 mm-40 -109.24 -38.88 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.0 p -118.38 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.77 -21.12 6.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -46.24 147.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 t -120.12 149.76 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -140.46 153.57 46.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -73.79 -53.2 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -94.89 172.26 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 34.8 t30 -88.81 -38.76 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -52.87 -34.06 52.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -75.96 -30.6 58.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -73.59 -48.55 31.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -60.83 -55.99 26.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -53.62 -25.39 17.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -78.43 -45.72 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.97 -18.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -51.32 -41.97 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -68.16 -18.26 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.436 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 64.7 m-70 -86.68 -51.42 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -99.57 135.41 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.47 -89.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -120.29 130.48 54.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.11 156.2 42.27 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.73 -165.89 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.719 2.279 . . . . 0.0 112.356 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 70.4 m -36.71 113.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.69 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -0.73 7.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.298 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 p -45.47 159.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -62.37 146.89 50.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -116.12 114.28 24.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -81.57 -59.68 2.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.84 134.81 1.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -106.77 -61.01 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 t -119.26 121.16 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.97 -176.79 33.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -101.02 120.75 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.1 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.55 137.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 2.7 pt-20 -152.33 123.93 7.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -96.68 159.09 32.48 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.72 -3.81 12.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 95.0 m-85 -121.23 108.21 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HG3' HG22 ' A' ' 21' ' ' VAL . 11.4 ttpt -133.12 130.65 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -64.95 121.79 15.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.49 14.39 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 34.1 mm-40 -103.99 -36.71 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -130.97 -45.02 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.48 -26.41 2.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -38.44 155.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG22 ' HG3' ' A' ' 14' ' ' LYS . 1.6 t -135.55 149.63 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 1.7 m-85 -143.41 172.93 12.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -92.61 -58.14 2.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -93.83 135.56 35.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -53.28 -30.5 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -55.27 -45.76 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.47 -31.04 66.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.4 tp -69.18 -40.53 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -67.47 -54.79 17.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -54.79 -19.59 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.4 t60 -86.54 -55.85 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -40.42 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 31' ' ' HIS . 35.7 mtp180 -50.82 -43.91 59.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 35' ' ' HIS . 6.2 pt -48.26 -20.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 34' ' ' ILE . 56.3 m-70 -96.71 -60.12 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 t -122.85 147.76 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.07 -135.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -130.35 119.33 22.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.95 0.405 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -100.02 143.26 26.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.699 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.3 Cg_endo -69.73 103.81 1.21 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.727 2.284 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.1 p -158.43 117.87 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.83 -158.32 15.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 102.54 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.1 t -122.48 90.11 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.8 p -42.5 -45.08 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -164.52 138.92 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -105.45 169.01 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 165.5 28.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -92.81 85.51 5.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -91.06 -38.22 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.37 144.91 16.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.4 p -141.44 109.22 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.23 61.33 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -122.5 -4.59 8.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HB2' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.64 152.91 81.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.05 34.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -115.43 99.91 7.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -117.97 148.74 41.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 t -81.0 117.61 21.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -86.53 14.55 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mt-10 -109.26 -35.23 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 31.2 p -130.98 -41.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.71 -34.19 2.52 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -37.76 141.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG12 ' HB2' ' A' ' 11' ' ' LYS . 2.2 t -118.06 145.35 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.1 m-85 -131.32 170.98 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -89.62 -39.53 13.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -115.71 149.64 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.3 p-10 -65.66 -48.21 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASN . 67.4 m -37.52 -59.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.5 m-85 -56.15 -50.6 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.67 -56.26 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -52.62 -52.73 54.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -54.98 -25.57 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.2 t60 -82.35 -57.49 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -39.87 -25.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' HIS . 19.2 mtm180 -50.13 -45.85 53.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.16 -22.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 36.9 m-70 -82.64 -56.41 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.7 p -82.34 60.03 4.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.15 -69.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -102.99 76.53 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 9.9 ttpt -107.03 143.26 26.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.586 0.707 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.79 90.37 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 40.6 p -119.18 -46.5 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.86 146.35 6.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -106.16 -55.47 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m 59.73 42.26 17.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.511 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 68.0 m -35.44 -53.61 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m 48.29 42.33 17.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 -175.4 45.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p 41.76 42.87 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -137.16 169.15 18.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.6 159.98 14.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.5 m -98.58 -60.05 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.79 144.51 40.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -126.53 145.49 50.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.26 156.89 41.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -5.31 15.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 99.28 6.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -128.49 127.78 43.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.8 t -62.55 133.05 54.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -101.05 13.03 36.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 67.2 mm-40 -100.67 -36.16 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.26 -38.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 14.83 4.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 179.1 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 t -152.42 143.75 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -142.99 167.15 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -86.25 -56.08 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -103.2 143.95 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' SER . 15.5 t-20 -52.11 -50.68 61.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' ASN . 13.3 t -36.61 -58.71 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -55.07 -41.81 72.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 -33.76 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -65.83 -53.13 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -57.96 -13.12 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' ARG . 44.4 t60 -91.04 -58.15 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -39.32 -25.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 13.4 mtm180 -49.28 -52.24 28.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.42 -17.32 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.7 m-70 -99.24 -49.25 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 36' ' ' THR . 11.5 t -122.73 127.52 49.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.76 -121.6 1.96 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.27 117.8 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.9 tttm -90.53 143.11 28.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.54 0.686 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.77 143.19 50.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.365 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.8 p -150.85 137.44 18.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.21 172.76 23.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.81 68.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.627 2.218 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -69.07 119.44 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 p -61.72 150.28 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.482 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -70.6 82.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -166.96 169.33 13.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.04 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -42.18 154.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -121.44 113.57 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.77 157.69 45.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.7 p -88.21 163.23 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.61 -41.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 51.44 42.34 29.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 151.66 40.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -5.17 15.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.352 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 82.5 m-85 -125.44 104.25 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HG3' HG22 ' A' ' 21' ' ' VAL . 30.9 tttt -131.73 134.37 45.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -71.33 154.8 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -111.3 -36.07 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -55.63 -50.49 70.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -100.47 -38.56 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.97 29.18 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -97.68 171.88 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' HG3' ' A' ' 14' ' ' LYS . 7.6 t -131.14 154.55 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -137.39 173.83 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -110.05 22.5 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.1 t-80 -171.63 154.62 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -57.07 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -40.81 -47.77 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 15.9 m-85 -62.62 -41.46 99.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 tp -63.81 -50.74 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 t -51.31 -46.76 62.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.0 mtp-105 -65.71 -30.95 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 25.6 t60 -70.71 -52.42 21.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -43.76 -22.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 4.4 mmp_? -48.41 -50.83 29.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 pt -52.29 -22.47 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -91.77 -56.64 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 p -60.61 -9.36 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.63 -72.87 1.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -138.17 130.37 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -92.85 143.12 26.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -172.63 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.9 m -52.06 -47.65 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.52 74.77 1.02 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -42.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.299 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -67.31 166.26 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -164.16 162.75 22.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -122.8 -46.24 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 p -167.85 151.55 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 46.98 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -80.71 -48.94 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -95.35 94.27 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.01 169.82 13.84 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -73.82 151.42 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.49 90.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -111.09 -4.65 14.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -105.58 147.46 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.73 19.28 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.2 m-85 -117.35 101.66 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -134.09 127.7 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.78 145.67 55.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -101.41 -25.02 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.5 mm-40 -66.83 -49.8 64.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -112.18 -42.95 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 123.76 -27.86 5.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.454 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.0 mttt -35.81 139.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 22.9 t -110.38 153.32 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -139.16 150.65 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -77.27 -45.66 25.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -115.18 146.54 41.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -60.83 -45.84 92.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.2 m -39.88 -46.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -68.04 -47.76 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.46 -41.81 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -54.85 -46.62 74.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 25.0 mtp85 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.0 t60 -65.12 -57.13 9.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -41.09 -24.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 25.8 mmm-85 -49.43 -50.53 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 35' ' ' HIS . 6.0 pt -50.75 -19.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 91.3 m-70 -93.91 -68.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -50.12 -41.05 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.02 -143.34 48.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -124.67 163.72 21.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.949 0.404 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 143.98 91.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 88.05 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.4 p -90.89 -63.2 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.45 -170.41 15.64 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 103.86 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -45.72 146.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -126.19 133.13 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -96.27 163.9 12.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 4' ' ' GLY . 5.8 t -94.51 163.59 13.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -34.35 110.5 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -52.82 133.58 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.39 56.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 p -128.92 38.39 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.4 127.35 9.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -87.6 32.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -121.31 143.88 38.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.75 -6.84 19.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 61.6 m-85 -115.69 113.86 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -138.17 129.16 27.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.8 t -63.3 124.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -95.62 12.21 30.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mm-40 -99.25 -40.66 7.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -121.52 -48.71 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.3 27.16 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -91.31 179.5 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' TYR . 3.5 t -148.15 148.77 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -142.63 144.41 32.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -62.18 -54.18 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -110.31 143.93 39.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -59.76 -45.53 91.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.1 p -37.69 -46.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -71.51 -53.86 12.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD11 ' HG3' ' A' ' 32' ' ' GLN . 16.0 tp -42.76 -30.36 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.7 t -64.86 -53.15 51.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -55.72 -17.92 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' ILE . 27.1 t60 -93.32 -68.5 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HG3' HD11 ' A' ' 28' ' ' LEU . 21.2 mt-30 -36.0 -35.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 34' ' ' ILE . 25.8 ptt85 -46.05 -48.3 16.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' HIS . 18.4 pt -41.31 -29.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.4 m-70 -79.02 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.0 p -42.06 -45.12 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.98 -48.1 83.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.51 135.65 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.8 143.74 96.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 157.6 59.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.65 2.233 . . . . 0.0 112.341 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.1 m -95.58 -41.72 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.66 83.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 87.7 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.254 . . . . 0.0 112.36 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.5 m -107.96 -43.13 4.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.0 p -58.26 172.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -42.81 115.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -110.46 167.63 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.65 104.63 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -76.59 115.03 15.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -92.04 110.44 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.01 -104.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 m -90.02 111.79 23.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.29 -38.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -72.33 84.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 6.9 mmpt? -119.32 146.21 40.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.8 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 61.7 m-85 -118.42 107.56 13.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -136.79 137.86 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.5 148.65 42.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -29.19 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.8 mp0 -63.19 -46.35 87.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.8 -41.39 3.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 122.81 -31.12 4.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' GLY . 23.4 mttp -37.49 137.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 38.8 t -106.21 155.39 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 21' ' ' VAL . 12.1 m-85 -136.66 156.39 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -75.98 -47.27 25.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -119.25 152.38 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.6 t30 -66.62 -44.72 81.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.3 m -38.24 -56.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -62.76 -52.95 61.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -43.18 -45.85 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 t -54.06 -44.36 71.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -62.53 -29.17 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.2 t60 -80.25 -57.58 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -40.37 -25.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.8 mtp85 -48.62 -52.34 23.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -47.52 -25.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.6 m-70 -87.03 -53.04 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.2 p -78.06 84.72 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.01 -61.87 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -134.76 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 20.1 ttmm -85.42 139.4 36.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.556 0.694 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.81 155.56 65.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.21 . . . . 0.0 112.358 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.5 p 37.84 47.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.94 146.33 11.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 93.64 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -83.18 -45.88 13.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.2 t -172.28 158.73 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.519 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -158.75 155.58 28.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 p -163.95 153.53 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.47 126.74 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -120.93 142.7 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -108.25 -42.52 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -43.7 -64.65 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.8 t -34.55 148.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.26 -173.88 48.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -115.7 134.84 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.901 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 2.8 mppt? -108.71 157.83 35.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.8 -4.94 15.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 80.4 m-85 -126.35 115.14 19.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HG3' HG22 ' A' ' 21' ' ' VAL . 52.1 tttt -139.73 144.95 37.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.87 122.3 28.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -89.58 7.09 38.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.3 mp0 -94.14 -30.5 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -130.81 -49.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.87 -15.58 4.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.07 155.97 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 14' ' ' LYS . 22.7 t -128.57 152.63 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 5.2 m-85 -136.83 173.39 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -113.85 29.42 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.0 t-80 -170.78 160.88 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -84.5 -34.45 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -64.51 -27.33 68.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 4.8 m-85 -87.87 -29.1 21.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.65 -47.75 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.32 -47.92 82.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -58.32 -24.58 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 49.8 t60 -83.64 -55.88 4.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' HIS . 84.5 mt-30 -38.44 -26.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 29.5 mtp180 -49.82 -47.63 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 pt -52.8 -20.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.94 -47.46 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.7 p -54.2 -46.24 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.3 -65.79 3.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LYS . 45.3 mm-40 -98.01 124.22 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 15.4 ttmm -36.99 139.5 0.48 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.687 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -34.3 14.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.355 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.9 m -158.74 165.22 34.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.58 -63.66 2.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.56 23.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -140.82 137.56 33.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -115.22 42.38 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 m -130.95 167.71 18.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -94.48 145.21 24.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 159.85 -40.3 0.46 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 73.4 m -36.08 112.47 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -150.09 150.35 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.11 -175.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -127.92 144.47 51.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.105 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 71.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -67.18 99.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 55.4 mmtt -69.82 151.15 96.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.74 -3.92 12.97 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 87.1 m-85 -125.67 103.75 8.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.685 ' HG3' HG22 ' A' ' 21' ' ' VAL . 10.4 tttp -135.89 126.91 27.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.0 t -66.99 139.44 57.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -97.66 -24.55 15.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 79.3 mm-40 -61.54 -55.56 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.49 -41.02 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.1 26.65 4.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -92.71 167.24 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG3' ' A' ' 14' ' ' LYS . 8.9 t -129.26 148.54 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 5.5 m-85 -136.5 174.46 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -90.51 -53.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -113.53 152.28 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' SER . 60.3 t30 -64.65 -53.79 41.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 3.4 t -34.77 -50.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.66 -50.38 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.9 -52.4 57.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.5 t -40.24 -62.19 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -45.13 -45.42 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.5 t60 -64.13 -57.09 10.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -38.2 -28.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.615 ' O ' HG23 ' A' ' 36' ' ' THR . 26.5 mmm180 -46.58 -55.39 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 pt -39.55 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.5 m-70 -90.37 41.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 33' ' ' ARG . 16.2 p -106.06 -59.9 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.65 62.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -99.72 114.95 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HE2' ' CA ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -51.65 141.37 25.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.54 0.686 . . . . 0.0 110.898 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.24 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.4 p -98.11 120.64 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' CA ' ' HE2' ' A' ' 39' ' ' LYS . . . -104.81 149.17 16.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -43.55 2.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -117.1 86.08 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.1 m -59.64 130.08 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.423 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -72.56 -37.78 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -42.43 137.63 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.54 116.76 4.44 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.429 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m -70.05 108.35 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -81.44 80.71 7.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.01 -132.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -123.06 91.96 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.74 58.33 0.62 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -141.33 116.63 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -119.58 145.31 38.75 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.527 0.68 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.77 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 89.2 m-85 -116.8 114.42 23.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' HG22 ' A' ' 21' ' ' VAL . 24.1 tttt -140.6 142.18 35.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 43.1 t -86.84 135.88 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.61 -27.69 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 23.9 mt-10 -59.26 -53.3 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -106.33 -40.44 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.26 -28.82 5.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mttp -40.51 157.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 14' ' ' LYS . 31.2 t -120.01 153.18 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.756 ' CD1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -136.97 162.64 32.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -92.68 -45.46 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.4 t-80 -116.16 140.72 49.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 2.6 p30 -56.74 -54.8 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' ASN . 11.6 t -35.18 -56.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 23.7 m-85 -58.73 -54.98 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.756 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.7 tp -47.29 -46.37 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.3 t -46.55 -63.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 22.3 mtm105 -43.86 -37.06 2.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 20.1 t60 -72.79 -61.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 43.6 mt-30 -35.06 -31.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 37.1 mtp180 -46.44 -53.34 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -40.24 -25.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 94.7 m-70 -93.38 -57.64 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.7 p -76.16 94.35 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.53 -85.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.95 105.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -118.59 151.01 49.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.54 21.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.4 m -39.8 133.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.65 63.31 3.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.515 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -46.11 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -93.79 42.24 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m 47.72 42.11 14.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.528 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 156.35 13.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -77.43 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.22 123.34 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -79.33 166.04 22.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -40.5 -61.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.9 122.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -114.47 111.09 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 111.117 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.54 98.07 2.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.491 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -142.74 119.37 11.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.9 mptp? -82.86 160.05 61.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.56 0.695 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.75 -10.64 29.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.6 m-85 -120.63 113.63 20.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -140.99 140.05 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.94 142.72 38.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -99.24 -29.59 12.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.11 -49.81 74.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -107.19 -41.63 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 120.0 -32.62 4.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 52.3 mttt -37.57 151.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 11' ' ' LYS . 54.9 t -114.83 152.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 4.7 m-85 -135.16 151.96 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.5 -51.03 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -117.08 165.77 13.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 25' ' ' ASN . 1.0 OUTLIER -70.46 -46.48 63.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -40.38 -52.08 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -62.11 -43.77 98.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.92 -59.65 5.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.2 m -43.9 -52.92 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.3 mtt-85 -57.3 -40.32 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.7 t60 -63.54 -58.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 11.4 mt-30 -37.59 -28.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.1 mmp_? -48.2 -48.64 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.2 pt -49.71 -24.95 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 34' ' ' ILE . 43.9 m-70 -83.29 -44.98 14.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.1 p -81.49 42.96 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.3 -116.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.439 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.37 61.54 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 82.9 6.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.44 27.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -77.66 143.66 37.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.12 69.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -76.86 100.73 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -48.46 176.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.461 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -73.61 177.9 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.816 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.09 176.8 28.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -99.85 127.95 45.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -75.44 -46.51 32.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.37 89.49 1.05 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -134.92 157.94 45.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.9 168.2 24.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -127.02 129.97 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.18 152.57 84.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -7.34 20.78 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.319 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.4 m-85 -120.66 108.9 14.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HG3' HG22 ' A' ' 21' ' ' VAL . 19.2 tttm -132.42 120.56 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 t -61.62 145.11 53.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -101.56 -35.59 9.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.7 mm-40 -52.87 -53.67 45.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -100.72 -36.87 8.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.68 5.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -97.05 -179.75 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG22 ' HG3' ' A' ' 14' ' ' LYS . 16.9 t -137.01 151.03 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 28' ' ' LEU . 38.2 m-85 -137.98 174.77 10.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -89.66 -57.61 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 8.5 t-80 -109.78 155.28 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -66.56 -55.13 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.542 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 10.1 t -34.49 -50.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 9.1 m-85 -62.19 -46.08 90.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.9 tp -53.69 -45.4 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -49.23 -50.65 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 57.2 mtt-85 -57.74 -44.48 86.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.1 t60 -62.28 -61.3 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' HIS . 15.4 mm-40 -37.04 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 9.8 mmt180 -46.43 -50.73 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.7 pt -44.38 -27.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.1 m-70 -89.94 -58.64 2.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.8 p -43.06 -46.96 5.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.45 -59.53 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.442 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.6 91.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.0 152.58 25.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.603 0.716 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.07 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.6 m -162.1 153.18 17.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -95.02 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 m -155.21 138.61 15.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.7 p -155.46 161.06 41.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.196 -0.78 . . . . 0.0 112.461 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -172.91 149.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 p -105.46 166.45 10.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.33 -172.51 13.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -149.9 118.48 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 m -142.83 162.76 34.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.68 -147.86 4.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.6 p -142.04 144.38 33.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 -166.79 37.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -106.72 40.73 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -141.47 144.6 34.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.556 0.693 . . . . 0.0 110.951 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.75 -8.87 24.69 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 87.1 m-85 -112.55 104.06 12.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -128.26 135.04 49.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 t -71.44 146.86 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -107.47 -26.09 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 43.6 mt-10 -68.8 -33.83 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 26.0 p -126.94 -43.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 124.12 -33.12 3.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' GLY . 47.6 mttt -35.86 133.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.8 t -102.47 149.11 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 31' ' ' HIS . 11.5 m-85 -135.91 168.31 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -95.98 -50.71 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 3.4 t-80 -104.57 131.07 52.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 40.8 t-20 -49.38 -45.04 45.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -43.25 -44.54 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 13.0 m-85 -71.51 -31.3 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 34.3 tp -70.42 -53.65 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 t -55.21 -51.78 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -61.39 -20.68 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 10.9 t60 -84.2 -59.56 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -38.68 -26.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 31' ' ' HIS . 42.1 mtt180 -47.41 -53.74 13.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -41.88 -23.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 52.8 m-70 -87.0 -62.42 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -56.71 99.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.91 56.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -168.45 170.87 9.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -58.31 143.96 78.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.74 9.42 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.0 m -97.4 37.35 1.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.53 160.99 22.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.7 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.7 p -58.55 79.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' PRO . 71.2 m -133.26 89.5 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.456 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m 60.02 43.47 14.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -143.08 150.15 39.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.8 86.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -105.89 -47.12 3.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -80.56 173.29 12.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.81 -73.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -107.64 156.22 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.32 154.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.492 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -171.34 130.4 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -68.79 161.31 72.46 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.701 . . . . 0.0 110.921 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.2 Cg_endo -69.71 -4.71 14.55 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 88.8 m-85 -124.69 102.45 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HG3' HG22 ' A' ' 21' ' ' VAL . 54.8 tttt -129.93 128.69 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.76 147.07 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -103.39 -27.84 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 81.2 mm-40 -59.35 -56.77 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -101.44 -35.75 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.36 21.8 9.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -86.08 168.07 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG22 ' HG3' ' A' ' 14' ' ' LYS . 14.6 t -130.72 153.63 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 28' ' ' LEU . 29.3 m-85 -138.92 175.35 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ttm-85 -91.88 -53.86 4.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 10.3 t-80 -105.27 150.35 25.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -69.21 -56.15 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 p -35.69 -48.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 22.6 m-85 -63.06 -49.9 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.7 tp -45.4 -45.11 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 m -53.52 -49.5 67.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 17.2 mmm180 -54.27 -40.24 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 11.4 t60 -67.77 -56.2 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -39.09 -25.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 20.4 mmm180 -50.1 -51.38 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 pt -47.51 -22.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 61.0 m-70 -92.89 27.76 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 33' ' ' ARG . 15.0 t -170.33 175.48 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -37.33 133.59 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -173.93 122.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -119.79 145.75 40.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.685 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 87.82 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -78.7 93.37 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.38 140.11 2.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.79 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.717 2.278 . . . . 0.0 112.347 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 p -71.01 145.45 49.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -106.85 124.98 50.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.795 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.197 -0.779 . . . . 0.0 112.511 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -88.85 146.73 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -109.82 110.82 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.53 173.34 0.91 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -127.88 175.42 8.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.83 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 m -93.13 104.76 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.09 132.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 8' ' ' THR . 7.3 t -163.87 111.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 111.173 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.16 83.97 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -91.09 16.83 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -151.02 157.09 35.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.535 0.683 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -9.51 26.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 91.4 m-85 -116.32 100.62 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -133.53 129.27 36.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 t -64.65 148.22 51.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -103.8 -27.09 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 10.4 mm-40 -63.52 -50.82 68.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.07 -39.94 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 121.12 -26.04 6.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLY . 21.0 mtpt -36.1 153.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.3 t -119.64 145.89 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 28' ' ' LEU . 8.8 m-85 -132.8 173.13 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -90.91 -55.56 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 4.6 t-80 -104.15 168.74 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.6 t30 -81.06 -49.2 11.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -42.62 -52.84 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.539 ' CD2' ' HB3' ' A' ' 24' ' ' HIS . 10.1 m-85 -60.23 -43.1 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 22' ' ' PHE . 46.8 tp -56.89 -55.25 36.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -45.27 -50.41 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -54.22 -44.29 71.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.0 t60 -63.88 -60.18 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -39.01 -26.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.501 ' O ' HG23 ' A' ' 36' ' ' THR . 17.2 mmm180 -48.32 -52.4 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.3 pt -43.36 -24.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 55.0 m-70 -86.03 39.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 33' ' ' ARG . 41.5 p -120.7 127.0 51.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.24 -121.48 1.06 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -49.44 159.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.05 155.69 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.11 39.51 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -158.36 133.27 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.47 83.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 152.12 69.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.3 m -94.4 -58.37 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.5 t 39.72 41.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.479 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -145.48 112.49 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -42.98 153.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.57 -73.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -49.43 146.04 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 m -147.24 113.82 6.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.52 155.78 6.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -53.66 128.31 28.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 0.0 111.158 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.09 60.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -107.18 141.05 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -104.2 156.35 35.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.534 0.683 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -5.21 15.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.396 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' O ' HG13 ' A' ' 21' ' ' VAL . 70.3 m-85 -121.29 105.21 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG3' HG22 ' A' ' 21' ' ' VAL . 35.2 tttm -140.15 129.41 23.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 t -67.75 151.12 47.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -107.42 -31.12 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -63.4 -44.29 95.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -111.42 -41.99 3.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.46 -29.45 6.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -41.08 151.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 13' ' ' TYR . 29.6 t -117.63 148.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 11.1 m-85 -130.52 173.81 10.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 26.6 mtm180 -87.04 -57.59 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -109.71 167.14 10.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 42.8 t30 -70.13 -51.57 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . 40.8 t -36.24 -43.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -75.25 -39.06 60.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD11 ' NE2' ' A' ' 32' ' ' GLN . 23.4 tp -62.92 -55.34 26.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.2 t -58.22 -53.93 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.84 -15.39 8.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.884 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.2 t60 -92.49 -55.39 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' NE2' HD11 ' A' ' 28' ' ' LEU . 45.6 mt-30 -46.89 -34.9 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -46.97 -32.96 4.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 31' ' ' HIS . 15.5 pt -53.2 -36.13 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' N ' HG13 ' A' ' 34' ' ' ILE . 55.5 m-70 -75.06 -57.32 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.1 t -83.58 40.75 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.22 -76.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.551 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -96.99 44.07 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -159.72 139.85 8.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.58 65.38 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -82.72 96.19 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.05 79.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.8 Cg_endo -69.77 -43.84 2.42 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 31.3 p 35.78 42.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.0 p -146.57 143.7 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.442 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_