data_2eon_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 2eon _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 ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.826 0.261 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -105.54 141.3 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -154.76 133.35 12.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.28 177.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -128.7 -29.61 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' HIS . 11.6 m -75.76 -39.43 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.03 -29.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.76 22.5 23.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -67.38 173.33 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.64 141.12 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.1 m-85 -146.25 108.02 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -42.36 -26.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.7 m -108.91 163.48 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 t -89.57 -39.56 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 p -51.9 -59.39 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m170 -53.2 -56.97 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' A' ' 22' ' ' PHE . 11.4 tp -44.25 -39.73 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.75 -57.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.76 -25.69 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.1 t60 -81.85 -25.35 35.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.22 -3.61 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -112.61 5.81 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 5.0 m -82.57 -33.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 17' ' ' VAL . 34.0 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.79 0.246 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.76 142.88 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -158.81 129.29 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -55.47 174.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -125.42 -32.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 35' ' ' HIS . 15.8 m -72.36 -43.2 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' ' 17' ' ' VAL . 31.0 p -109.48 -33.9 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.59 22.51 14.01 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 4.7 mmtp -68.1 174.95 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -149.58 143.53 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 1.2 m-85 -150.9 108.64 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -46.08 -21.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.7 m -110.76 157.14 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 26.6 t -85.74 -33.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -57.83 -61.16 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 17.4 m170 -52.06 -56.38 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.32 -38.84 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 25' ' ' SER . 90.3 t -63.02 -60.11 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.28 -22.73 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.551 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -85.04 -23.54 28.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.52 -4.0 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -112.98 10.83 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -88.85 -12.8 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 17' ' ' VAL . 38.6 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.807 0.253 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.46 144.0 33.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -155.93 134.71 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.67 176.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -128.31 -29.13 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 35' ' ' HIS . 10.6 m -75.96 -41.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' N ' HG22 ' A' ' 17' ' ' VAL . 23.3 p -112.69 -32.28 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.25 24.67 12.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.2 mmmt -71.21 178.1 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.71 137.99 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.6 m-85 -142.61 108.57 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -41.75 -23.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 17.9 m -107.36 160.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 t -85.13 -43.75 13.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' VAL . 10.5 t -53.25 -72.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 33.3 m170 -36.73 -53.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -53.35 -39.17 63.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' SER . 88.4 t -61.1 -52.69 58.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.26 -26.2 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.5 t60 -80.09 -24.01 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.41 ' NE2' HD12 ' A' ' 28' ' ' LEU . 14.8 m-70 -68.51 -3.17 10.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -113.56 8.91 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.6 m -88.02 -24.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 17' ' ' VAL . 37.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.784 0.243 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -88.16 139.18 30.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -155.69 134.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.39 172.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.06 -21.37 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 35' ' ' HIS . 4.3 m -85.02 -40.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.6 -29.14 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.4 21.92 25.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtm -66.17 177.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.8 143.27 24.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -150.54 115.89 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -54.08 -20.81 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.7 m -114.3 149.69 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 t -70.34 -52.87 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' VAL . 13.8 t -43.48 -72.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CG ' ' CG2' ' A' ' 24' ' ' VAL . 54.0 m170 -35.46 -53.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 22' ' ' PHE . 21.2 tp -56.6 -40.28 75.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' SER . 79.6 t -59.01 -51.41 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.36 -26.79 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -81.63 -20.46 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.18 -0.37 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.3 p -114.68 10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -85.9 -19.99 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.795 0.248 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -105.72 141.24 37.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -156.08 130.63 8.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.99 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -126.38 -26.89 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.544 HG23 ' CD2' ' A' ' 35' ' ' HIS . 12.3 m -79.5 -40.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 17' ' ' VAL . 21.8 p -112.74 -30.54 7.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 25.68 17.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.5 mmmt -70.39 177.49 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.99 142.98 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CD1' HD13 ' A' ' 28' ' ' LEU . 3.4 m-85 -150.4 108.91 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 27' ' ' HIS . 5.1 m -112.81 156.69 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t -79.51 -43.39 23.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.7 t -53.65 -71.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CG ' HG21 ' A' ' 24' ' ' VAL . 43.5 m170 -37.04 -50.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 88.0 t -60.23 -58.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.14 -24.16 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -80.85 -24.09 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -69.04 -3.66 13.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 p -111.43 6.51 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -84.63 -21.35 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 17' ' ' VAL . 39.1 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.817 0.257 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -105.8 143.47 33.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -154.16 135.83 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.5 t -60.65 178.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -129.19 -29.99 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.606 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 22.6 m -75.42 -40.85 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 22.0 p -114.04 -28.48 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.47 24.13 22.16 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 15.3 mmtm -69.8 176.62 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -152.17 138.29 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -141.47 110.41 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.13 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 13.8 m -111.87 166.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -94.68 -40.27 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -51.73 -57.33 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.6 m170 -55.84 -60.11 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' NE2' ' A' ' 32' ' ' HIS . 8.2 tp -40.55 -38.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.03 -55.74 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -53.66 -21.64 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -86.84 -22.34 25.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.413 ' NE2' HD13 ' A' ' 28' ' ' LEU . 15.1 m-70 -67.5 -3.23 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.5 m -112.3 10.16 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -87.52 -22.73 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 33.2 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.821 0.259 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -116.83 110.44 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -121.09 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.37 179.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -131.23 -31.34 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 20.2 m -72.75 -42.88 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.46 -33.07 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.77 10.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 21.8 mmtm -67.49 176.42 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.39 147.32 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.3 m-85 -152.54 125.89 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -27.36 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -109.21 165.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -85.04 -48.65 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.14 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -39.32 -57.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.5 tp -53.15 -40.68 64.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.08 -51.12 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -61.53 -29.41 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -75.84 -23.61 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.46 -2.28 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -113.8 10.49 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.2 m -85.59 -33.9 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.609 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 23.0 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.813 0.255 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CB ' HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -107.44 112.2 24.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -123.14 135.89 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.09 174.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -126.31 -23.82 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 35' ' ' HIS . 5.7 m -82.4 -40.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.01 -28.99 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.61 24.18 21.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -70.54 177.63 3.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.303 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.23 148.99 29.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -152.79 124.25 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -22.25 39.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.27 165.3 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -91.67 -40.52 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -52.53 -55.72 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -56.51 -57.74 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 22' ' ' PHE . 11.9 tp -46.09 -35.57 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.89 -55.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.06 -24.19 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -84.53 -24.59 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -65.2 -5.13 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -110.93 11.06 22.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -89.99 -12.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG23 ' A' ' 17' ' ' VAL . 21.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.795 0.248 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -101.34 142.56 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -157.79 129.37 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.24 174.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -126.75 -26.62 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 35' ' ' HIS . 4.5 m -79.78 -36.87 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -115.68 -32.05 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.42 25.46 13.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.3 mmmt -71.14 175.83 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.24 141.88 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.07 107.4 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -45.58 -21.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -113.29 158.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -80.31 -45.75 17.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.3 t -46.45 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 17.1 m170 -36.22 -54.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD11 ' CE1' ' A' ' 22' ' ' PHE . 17.7 tp -53.68 -38.66 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' SER . 98.0 t -61.93 -54.78 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.31 -27.06 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.3 t60 -80.56 -21.98 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -70.14 -1.25 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -114.54 7.81 16.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 m -83.73 -27.87 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG23 ' A' ' 17' ' ' VAL . 19.1 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.811 0.255 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.6 110.76 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 35.6 tttt -122.52 136.69 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -58.18 179.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -129.11 -29.43 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.568 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 m -76.92 -41.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.5 p -113.6 -28.72 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.73 24.22 21.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 6.8 mmmt -69.82 177.66 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.17 151.01 31.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.5 m-85 -154.91 121.33 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -54.54 -25.42 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 10.5 m -107.98 166.5 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 43.3 t -96.14 -31.83 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 p -61.96 -43.01 99.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.1 m170 -68.44 -55.71 10.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 22' ' ' PHE . 8.9 tp -49.66 -28.51 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 25' ' ' SER . 84.3 t -69.89 -52.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.91 -24.85 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 6.3 t60 -81.35 -25.04 36.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -66.1 -4.18 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 m -112.03 12.67 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -87.06 -18.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 16.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.78 0.242 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.26 118.3 33.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -130.95 132.61 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.3 179.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -130.07 -29.24 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 35' ' ' HIS . 6.3 m -77.41 -39.18 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -114.37 -31.31 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.48 26.98 12.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 5.5 mmtp -71.84 177.31 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.5 147.14 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 28' ' ' LEU . 3.0 m-85 -153.88 117.91 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -31.0 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.41 165.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.456 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 43.5 t -90.56 -35.56 14.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 m -56.22 -61.99 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -48.87 -55.25 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 22' ' ' PHE . 13.2 tp -50.41 -37.9 40.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 25' ' ' SER . 86.5 t -62.74 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.31 -26.0 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 6.7 t60 -80.19 -25.22 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.21 -2.31 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.65 8.42 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 m -84.59 -27.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HG21 ' A' ' 17' ' ' VAL . 12.3 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.807 0.253 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -113.11 109.17 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -118.97 138.01 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.14 179.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -129.39 -29.3 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 35' ' ' HIS . 30.4 m -76.29 -42.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.99 -29.43 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.24 22.46 22.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.0 mmtm -67.22 176.3 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.5 147.44 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.2 m-85 -151.57 117.7 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -52.64 -20.25 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m -115.07 159.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 t -82.73 -43.54 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -50.49 -61.33 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.9 m170 -48.82 -57.86 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 22' ' ' PHE . 7.8 tp -47.64 -39.54 17.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.89 -55.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -56.34 -23.39 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -82.63 -23.24 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -69.23 -1.54 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -112.41 7.45 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 m -85.32 -32.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.779 0.241 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -117.51 111.5 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -122.83 134.67 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.75 179.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -129.48 -29.56 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 35' ' ' HIS . 31.5 m -77.01 -42.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -111.88 -29.23 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.34 24.12 19.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mmtt -68.65 175.42 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.89 147.67 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.5 m-85 -152.34 121.55 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.27 -20.47 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.44 162.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t -82.17 -53.4 6.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -40.59 -72.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.6 tp -53.17 -39.38 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.75 -52.14 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -60.37 -22.45 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 6.5 t60 -83.91 -21.92 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.85 -2.79 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -113.87 12.82 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -87.93 -18.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' HG22 ' A' ' 17' ' ' VAL . 28.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.788 0.245 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -97.96 149.03 22.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -160.85 133.03 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.11 171.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.75 -32.48 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG22 ' CD2' ' A' ' 35' ' ' HIS . 29.2 m -70.12 -40.37 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.92 -27.43 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.48 20.76 31.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.6 mmtt -62.29 -179.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -155.35 139.84 16.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -146.94 108.53 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -45.1 -21.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.6 m -113.27 165.23 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 43.2 t -86.92 -56.39 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' SER . 63.4 p -37.72 -68.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 19.2 m170 -44.02 -58.74 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.9 tp -44.42 -42.13 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.06 -55.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -52.73 -25.69 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.2 t60 -82.4 -26.19 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -65.46 -5.02 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -110.44 9.98 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -86.62 -29.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG22 ' A' ' 17' ' ' VAL . 32.0 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.792 0.246 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 1.4 m-30 -91.36 141.63 28.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -156.86 135.39 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.97 171.22 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -120.83 -33.34 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.45 HG23 ' CD2' ' A' ' 35' ' ' HIS . 29.8 m -69.7 -41.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -114.88 -27.86 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.51 21.91 30.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 13.5 mmmt -63.63 178.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.42 137.69 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.7 m-85 -145.15 111.61 5.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -49.84 -21.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.4 m -112.46 152.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -76.92 -39.44 50.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -52.99 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 16.2 m170 -41.58 -55.1 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.5 tp -49.29 -40.16 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.31 -55.1 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -55.84 -27.4 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.8 t60 -80.3 -26.29 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -64.92 -5.59 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.5 m -110.87 12.12 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.7 m -91.24 -15.39 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' HG23 ' A' ' 17' ' ' VAL . 37.1 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.784 0.243 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -94.45 134.43 36.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -150.06 126.85 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.71 169.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -119.38 -33.35 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 35' ' ' HIS . 24.1 m -69.73 -42.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.29 -31.26 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.63 21.55 21.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.2 mmtt -64.14 179.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.15 139.46 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -147.87 106.87 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -19.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 HG23 ' CG ' ' A' ' 27' ' ' HIS . 4.6 m -111.96 154.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.7 t -80.59 -41.2 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -52.8 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CG ' HG23 ' A' ' 24' ' ' VAL . 33.0 m170 -48.34 -58.51 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.4 tp -44.95 -40.27 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.58 -56.74 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -52.95 -27.47 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -84.84 -23.49 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -110.27 7.61 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.7 m -82.73 -18.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.789 0.245 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.57 136.38 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 7.9 tttp -150.9 132.75 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.91 174.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -126.87 -26.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -78.0 -40.64 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' N ' HG21 ' A' ' 17' ' ' VAL . 31.8 p -113.16 -33.37 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.7 21.81 11.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.3 mmtp -66.45 173.5 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.43 127.85 9.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -135.09 112.65 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -51.38 -16.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 17.7 m -112.25 161.34 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -85.5 -56.96 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -38.93 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.9 m170 -46.58 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.8 tp -39.65 -45.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.95 -56.16 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -55.06 -24.98 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.0 t60 -81.95 -23.62 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -68.62 -3.08 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -111.79 0.79 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.6 m -77.75 -33.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 17' ' ' VAL . 36.4 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.213 0 CA-C-O 120.78 0.242 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -95.4 134.97 37.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -149.57 130.19 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.61 178.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -128.74 -30.35 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -74.21 -38.95 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -117.77 -28.19 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.97 21.4 25.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.6 mmtt -64.64 172.77 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -147.09 139.76 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -147.27 108.89 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -48.13 -19.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' A' ' 27' ' ' HIS . 15.0 m -112.15 158.05 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.8 t -88.31 -36.53 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -55.49 -54.87 38.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 24' ' ' VAL . 38.1 m170 -58.29 -59.7 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD11 ' NE2' ' A' ' 32' ' ' HIS . 12.8 tp -41.71 -35.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -57.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.62 -24.6 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.5 t60 -84.63 -23.2 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' NE2' HD11 ' A' ' 28' ' ' LEU . 11.5 m-70 -68.42 -2.36 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.4 p -111.2 4.0 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.9 m -78.71 -27.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 17.7 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.78 0.242 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -101.23 137.46 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -151.82 131.45 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -58.09 176.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -126.95 -31.08 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 35' ' ' HIS . 25.1 m -74.36 -39.58 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 30.7 p -115.97 -27.01 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.74 19.88 35.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -61.34 173.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.69 131.67 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 5.9 m-85 -139.97 109.34 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -43.27 -25.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 2.9 m -107.8 155.48 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -78.92 -43.06 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.8 t -50.51 -70.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 24.5 m170 -39.21 -53.6 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -55.53 -36.79 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 91.4 t -63.89 -54.47 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -58.01 -25.52 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -80.85 -23.74 38.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -68.53 -2.28 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -111.36 5.58 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.76 -26.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 17' ' ' VAL . 43.2 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.786 0.244 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -92.02 142.63 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -156.41 132.97 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -59.0 178.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -129.26 -30.44 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.553 HG23 ' CD2' ' A' ' 35' ' ' HIS . 31.1 m -75.51 -43.97 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -110.04 -30.54 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.69 24.05 16.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -66.14 -177.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.0 138.47 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -146.69 112.6 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -50.14 -18.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 27' ' ' HIS . 2.6 m -115.68 148.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 t -70.74 -53.85 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 13.6 t -41.35 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' HG21 ' A' ' 24' ' ' VAL . 32.1 m170 -35.02 -57.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.9 tp -51.91 -43.59 63.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' SER . 96.1 t -56.74 -51.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -61.44 -26.55 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.8 t60 -78.98 -22.18 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.417 ' NE2' HD13 ' A' ' 28' ' ' LEU . 14.3 m-70 -69.87 -1.18 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -113.79 7.26 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 m -85.91 -27.54 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 17' ' ' VAL . 36.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -146.31 140.13 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -148.66 146.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.49 -59.99 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -84.84 -42.65 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -85.71 121.86 28.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.15 99.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -66.94 -13.81 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.49 105.61 2.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.08 125.98 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 28.6 mttp -71.63 152.55 93.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -105.54 141.3 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -154.76 133.35 12.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.28 177.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -128.7 -29.61 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' HIS . 11.6 m -75.76 -39.43 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.03 -29.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.76 22.5 23.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -67.38 173.33 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.64 141.12 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.1 m-85 -146.25 108.02 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -42.36 -26.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.7 m -108.91 163.48 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 t -89.57 -39.56 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 p -51.9 -59.39 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m170 -53.2 -56.97 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' A' ' 22' ' ' PHE . 11.4 tp -44.25 -39.73 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.75 -57.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.76 -25.69 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.1 t60 -81.85 -25.35 35.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.22 -3.61 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -112.61 5.81 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 5.0 m -82.57 -33.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 17' ' ' VAL . 34.0 m-70 -73.44 -43.7 59.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -40.77 -49.24 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.78 74.82 2.46 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.53 119.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -102.19 151.59 38.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 91.26 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.6 m -161.68 175.38 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.16 -157.07 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.11 35.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 m -44.01 144.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -70.8 100.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.464 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -69.61 102.92 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.87 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -60.96 153.4 25.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.93 -171.65 41.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -73.17 171.06 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -150.98 163.59 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.5 90.42 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 t -73.87 -44.95 53.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.96 98.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.92 134.17 56.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -83.88 144.55 45.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.544 0.688 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.18 24.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.76 142.88 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -158.81 129.29 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -55.47 174.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -125.42 -32.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 35' ' ' HIS . 15.8 m -72.36 -43.2 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' ' 17' ' ' VAL . 31.0 p -109.48 -33.9 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.59 22.51 14.01 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 4.7 mmtp -68.1 174.95 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -149.58 143.53 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 1.2 m-85 -150.9 108.64 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -46.08 -21.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.7 m -110.76 157.14 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 26.6 t -85.74 -33.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -57.83 -61.16 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 17.4 m170 -52.06 -56.38 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -46.32 -38.84 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 25' ' ' SER . 90.3 t -63.02 -60.11 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.28 -22.73 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.551 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -85.04 -23.54 28.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.52 -4.0 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -112.98 10.83 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -88.85 -12.8 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 17' ' ' VAL . 38.6 m-70 -95.01 -49.04 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -53.19 144.12 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.72 -96.53 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -171.27 122.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mmt-85 -58.99 139.65 87.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -5.39 16.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.9 p -49.5 168.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.1 65.42 3.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.63 61.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -43.48 111.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 m -109.29 120.17 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 p -172.68 170.27 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -118.62 134.56 55.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.6 -135.63 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m 58.32 43.77 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -112.49 42.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -158.51 -116.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.9 t 30.71 50.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.51 65.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' LYS . 1.9 pm0 -69.32 91.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 33.2 mttt -35.94 143.14 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -27.81 25.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.46 144.0 33.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -155.93 134.71 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.67 176.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -128.31 -29.13 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 35' ' ' HIS . 10.6 m -75.96 -41.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' N ' HG22 ' A' ' 17' ' ' VAL . 23.3 p -112.69 -32.28 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.25 24.67 12.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.2 mmmt -71.21 178.1 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.71 137.99 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.6 m-85 -142.61 108.57 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -41.75 -23.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 17.9 m -107.36 160.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 t -85.13 -43.75 13.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' VAL . 10.5 t -53.25 -72.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 33.3 m170 -36.73 -53.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.2 tp -53.35 -39.17 63.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' SER . 88.4 t -61.1 -52.69 58.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.26 -26.2 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.5 t60 -80.09 -24.01 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.41 ' NE2' HD12 ' A' ' 28' ' ' LEU . 14.8 m-70 -68.51 -3.17 10.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -113.56 8.91 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.6 m -88.02 -24.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 17' ' ' VAL . 37.1 m-70 -80.95 -54.98 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -70.51 100.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.8 -131.22 6.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -125.24 160.81 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -150.81 153.08 33.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.78 1.91 4.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.1 t -34.71 127.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.67 167.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.11 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.628 2.218 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -139.61 176.86 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 p -91.23 41.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.446 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -113.25 159.31 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -136.2 118.81 15.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.62 43.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -124.7 114.64 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -164.06 162.62 23.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.12 78.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -83.73 42.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.41 141.52 5.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -85.26 121.09 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -62.56 150.19 86.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -42.99 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -88.16 139.18 30.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -155.69 134.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.39 172.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.06 -21.37 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 35' ' ' HIS . 4.3 m -85.02 -40.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.6 -29.14 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.4 21.92 25.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtm -66.17 177.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.8 143.27 24.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -150.54 115.89 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -54.08 -20.81 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.7 m -114.3 149.69 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 t -70.34 -52.87 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' VAL . 13.8 t -43.48 -72.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CG ' ' CG2' ' A' ' 24' ' ' VAL . 54.0 m170 -35.46 -53.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 ' CE1' ' A' ' 22' ' ' PHE . 21.2 tp -56.6 -40.28 75.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' SER . 79.6 t -59.01 -51.41 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.36 -26.79 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -81.63 -20.46 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.18 -0.37 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.3 p -114.68 10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -85.9 -19.99 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.2 m-70 -95.59 28.48 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -82.81 176.83 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 134.71 12.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.12 5.17 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -145.5 154.72 53.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.581 0.705 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 177.61 5.41 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 p 45.5 39.53 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.78 166.22 32.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.13 19.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -77.65 134.41 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.7 p -169.72 175.62 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -105.24 100.15 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -104.72 153.93 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.13 166.94 16.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -98.19 89.19 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -139.87 142.5 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.54 -176.66 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.4 t -90.03 -41.66 11.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.784 0.326 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 132.87 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.21 133.91 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -49.03 145.85 6.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.83 24.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -105.72 141.24 37.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -156.08 130.63 8.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.99 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -126.38 -26.89 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.544 HG23 ' CD2' ' A' ' 35' ' ' HIS . 12.3 m -79.5 -40.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 17' ' ' VAL . 21.8 p -112.74 -30.54 7.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 25.68 17.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.5 mmmt -70.39 177.49 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.99 142.98 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CD1' HD13 ' A' ' 28' ' ' LEU . 3.4 m-85 -150.4 108.91 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 27' ' ' HIS . 5.1 m -112.81 156.69 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t -79.51 -43.39 23.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.7 t -53.65 -71.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CG ' HG21 ' A' ' 24' ' ' VAL . 43.5 m170 -37.04 -50.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' SER . 88.0 t -60.23 -58.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.14 -24.16 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -80.85 -24.09 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -69.04 -3.66 13.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 p -111.43 6.51 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -84.63 -21.35 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 17' ' ' VAL . 39.1 m-70 -85.6 -41.1 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -39.25 -57.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.31 61.93 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -128.34 86.75 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -109.29 141.68 24.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -17.55 37.61 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -79.34 156.52 27.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.83 -151.12 5.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -104.9 -44.58 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -37.68 106.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.062 -0.854 . . . . 0.0 112.443 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -136.56 132.55 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -136.67 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.89 -43.5 1.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -54.36 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -102.82 169.05 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.95 132.72 2.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.0 t -81.93 -42.44 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.111 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' N ' HG23 ' A' ' 8' ' ' THR . . . -146.29 149.91 22.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 25.2 mttp -69.56 152.34 96.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -31.83 19.95 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -105.8 143.47 33.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -154.16 135.83 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.5 t -60.65 178.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -129.19 -29.99 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.606 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 22.6 m -75.42 -40.85 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 22.0 p -114.04 -28.48 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.47 24.13 22.16 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 15.3 mmtm -69.8 176.62 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -152.17 138.29 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -141.47 110.41 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.13 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 13.8 m -111.87 166.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 t -94.68 -40.27 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -51.73 -57.33 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.6 m170 -55.84 -60.11 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD13 ' NE2' ' A' ' 32' ' ' HIS . 8.2 tp -40.55 -38.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.8 t -63.03 -55.74 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -53.66 -21.64 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -86.84 -22.34 25.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' NE2' HD13 ' A' ' 28' ' ' LEU . 15.1 m-70 -67.5 -3.23 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.5 m -112.3 10.16 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -87.52 -22.73 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 33.2 m-70 -87.41 -47.55 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.2 p -43.23 -44.33 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.38 -62.22 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -144.79 120.77 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.98 143.93 91.28 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -76.22 105.38 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.5 146.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 118.77 5.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -89.46 -46.94 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.4 m -135.5 172.46 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -79.86 147.3 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -95.39 165.89 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.43 123.8 2.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -98.29 167.05 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -146.02 113.81 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.69 63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -74.82 -47.65 29.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 8' ' ' THR . . . -93.43 151.4 20.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -109.0 127.72 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 16.3 mmtp -51.58 152.8 4.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.01 29.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -116.83 110.44 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -121.09 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.37 179.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -131.23 -31.34 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 20.2 m -72.75 -42.88 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -113.46 -33.07 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.77 10.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 21.8 mmtm -67.49 176.42 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.39 147.32 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.3 m-85 -152.54 125.89 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -56.87 -27.36 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -109.21 165.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -85.04 -48.65 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.14 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -39.32 -57.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.5 tp -53.15 -40.68 64.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.08 -51.12 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -61.53 -29.41 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -75.84 -23.61 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.46 -2.28 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -113.8 10.49 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.2 m -85.59 -33.9 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.609 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 23.0 m-70 -75.14 -55.52 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 t -82.41 41.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.18 -85.04 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.99 110.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -91.39 151.25 42.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.8 22.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.7 m -88.15 42.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.83 72.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.85 3.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 p 62.33 45.11 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -131.46 119.01 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.461 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -160.51 163.32 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.826 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -134.67 148.02 50.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.22 -87.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -106.52 172.44 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -76.77 147.53 37.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.57 176.32 48.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -90.84 -11.4 39.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 97.77 1.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.48 129.52 34.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 21.9 mmtp -126.26 152.57 73.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -30.73 21.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.414 ' CB ' HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -107.44 112.2 24.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -123.14 135.89 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.09 174.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -126.31 -23.82 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 35' ' ' HIS . 5.7 m -82.4 -40.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.01 -28.99 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.61 24.18 21.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -70.54 177.63 3.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.303 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.23 148.99 29.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -152.79 124.25 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -57.23 -22.25 39.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.27 165.3 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -91.67 -40.52 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -52.53 -55.72 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -56.51 -57.74 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD11 ' CE1' ' A' ' 22' ' ' PHE . 11.9 tp -46.09 -35.57 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.89 -55.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.06 -24.19 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -84.53 -24.59 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -65.2 -5.13 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -110.93 11.06 22.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -89.99 -12.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG23 ' A' ' 17' ' ' VAL . 21.3 m-70 -100.21 27.25 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.4 p -93.46 -38.6 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.3 -104.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -133.71 144.76 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -119.95 146.23 41.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 166.19 28.5 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -61.81 96.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.22 161.66 21.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -159.83 133.57 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -156.29 110.76 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -114.87 137.13 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -144.13 170.87 15.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.26 110.96 3.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -58.21 -45.33 87.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -119.1 41.85 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.67 120.08 1.88 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -132.91 40.23 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.159 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.91 -177.87 24.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.2 129.53 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -80.51 144.47 57.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -32.85 17.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.351 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -101.34 142.56 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -157.79 129.37 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.24 174.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -126.75 -26.62 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 35' ' ' HIS . 4.5 m -79.78 -36.87 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -115.68 -32.05 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.42 25.46 13.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.3 mmmt -71.14 175.83 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.24 141.88 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.07 107.4 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -45.58 -21.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 m -113.29 158.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -80.31 -45.75 17.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.3 t -46.45 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 17.1 m170 -36.22 -54.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD11 ' CE1' ' A' ' 22' ' ' PHE . 17.7 tp -53.68 -38.66 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' SER . 98.0 t -61.93 -54.78 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.31 -27.06 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.3 t60 -80.56 -21.98 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -70.14 -1.25 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -114.54 7.81 16.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 m -83.73 -27.87 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG23 ' A' ' 17' ' ' VAL . 19.1 m-70 -85.43 29.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -127.48 118.31 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.37 -88.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -89.97 130.2 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -77.88 137.91 61.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.25 13.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -109.34 144.7 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.27 152.66 9.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 102.49 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -85.71 42.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m 42.09 42.51 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -81.14 126.16 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -112.22 106.26 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.33 65.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -82.52 43.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.4 m -51.57 155.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.85 90.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -93.29 64.94 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.63 145.94 15.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -114.57 109.13 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -84.26 152.56 61.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.26 20.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.6 110.76 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 35.6 tttt -122.52 136.69 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -58.18 179.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -129.11 -29.43 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.568 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 27.0 m -76.92 -41.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.5 p -113.6 -28.72 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.73 24.22 21.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 6.8 mmmt -69.82 177.66 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.17 151.01 31.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.5 m-85 -154.91 121.33 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -54.54 -25.42 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 10.5 m -107.98 166.5 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 43.3 t -96.14 -31.83 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 p -61.96 -43.01 99.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.1 m170 -68.44 -55.71 10.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 22' ' ' PHE . 8.9 tp -49.66 -28.51 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 25' ' ' SER . 84.3 t -69.89 -52.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.91 -24.85 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 6.3 t60 -81.35 -25.04 36.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -66.1 -4.18 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 m -112.03 12.67 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -87.06 -18.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 16.7 m-70 -95.71 -18.7 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -89.72 23.61 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 105.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.11 3.04 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.84 150.65 10.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.34 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.7 p -148.64 178.59 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.02 146.91 9.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.71 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' SER . 13.7 m -49.36 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' SER . 13.1 t -34.76 98.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -47.78 106.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -106.5 148.78 27.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.35 -56.28 6.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 p -166.36 148.33 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 p -82.28 136.21 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.65 123.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 9.6 t -74.11 -29.5 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.4 88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.66 121.93 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -64.78 149.43 96.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -40.21 5.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.26 118.3 33.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -130.95 132.61 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.3 179.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -130.07 -29.24 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 35' ' ' HIS . 6.3 m -77.41 -39.18 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -114.37 -31.31 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.48 26.98 12.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 5.5 mmtp -71.84 177.31 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.5 147.14 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 28' ' ' LEU . 3.0 m-85 -153.88 117.91 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -31.0 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.41 165.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.456 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 43.5 t -90.56 -35.56 14.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 m -56.22 -61.99 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -48.87 -55.25 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 22' ' ' PHE . 13.2 tp -50.41 -37.9 40.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 25' ' ' SER . 86.5 t -62.74 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.31 -26.0 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 6.7 t60 -80.19 -25.22 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -68.21 -2.31 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.65 8.42 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 m -84.59 -27.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HG21 ' A' ' 17' ' ' VAL . 12.3 m-70 -86.88 32.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.5 p -80.58 -44.34 19.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -132.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -134.4 152.07 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 ttt180 -120.62 138.94 28.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.861 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.4 Cg_endo -69.78 151.41 68.92 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 p -59.67 165.89 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.72 -169.73 12.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 177.08 5.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 61.01 44.04 10.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.2 p -44.87 -48.37 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.509 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -74.15 90.88 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -88.65 103.22 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.31 105.71 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.0 m -51.63 -57.68 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 50.8 p 36.09 43.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.92 61.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -57.86 -45.66 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.132 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.64 106.67 3.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.45 125.54 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -66.42 152.5 94.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -25.93 28.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -113.11 109.17 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -118.97 138.01 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -60.14 179.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -129.39 -29.3 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 35' ' ' HIS . 30.4 m -76.29 -42.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.5 p -112.99 -29.43 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.24 22.46 22.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.0 mmtm -67.22 176.3 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.5 147.44 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.2 m-85 -151.57 117.7 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -52.64 -20.25 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m -115.07 159.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 t -82.73 -43.54 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -50.49 -61.33 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.9 m170 -48.82 -57.86 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 22' ' ' PHE . 7.8 tp -47.64 -39.54 17.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.5 t -62.89 -55.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -56.34 -23.39 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -82.63 -23.24 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -69.23 -1.54 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -112.41 7.45 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 m -85.32 -32.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.1 m-70 -75.56 -51.61 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -72.29 122.88 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -170.29 100.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' GLY . 39.1 mt-10 32.64 47.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -145.94 151.47 45.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.26 35.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -93.05 145.67 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.38 78.0 0.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -179.25 2.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 m -121.07 167.49 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.9 t -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.515 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 39.6 p -57.22 97.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 19.7 m -35.42 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -165.52 -73.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.459 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.2 t -35.91 150.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m 57.61 44.06 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.66 128.8 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -53.13 -39.7 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.42 172.66 31.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.02 131.97 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -60.77 152.13 69.73 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.569 0.699 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -23.31 31.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -117.51 111.5 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -122.83 134.67 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.75 179.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -129.48 -29.56 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 35' ' ' HIS . 31.5 m -77.01 -42.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -111.88 -29.23 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.34 24.12 19.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mmtt -68.65 175.42 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.89 147.67 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.5 m-85 -152.34 121.55 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.27 -20.47 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.44 162.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t -82.17 -53.4 6.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -40.59 -72.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.6 tp -53.17 -39.38 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.75 -52.14 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -60.37 -22.45 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 6.5 t60 -83.91 -21.92 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.85 -2.79 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -113.87 12.82 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -87.93 -18.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' HG22 ' A' ' 17' ' ' VAL . 28.4 m-70 -92.8 -58.58 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 m -48.39 107.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.41 -75.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' ARG . 1.5 tp10 -115.5 150.27 36.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -37.77 132.45 0.87 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.78 36.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.301 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -83.13 84.44 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.06 -70.27 0.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -73.72 -50.43 20.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 t -80.16 97.3 6.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.511 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -171.66 154.65 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -55.94 -60.03 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.42 50.73 0.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -136.3 162.04 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -117.52 128.76 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 79.55 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -82.29 -4.12 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.124 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.42 160.95 1.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -97.99 133.04 43.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -68.43 144.11 96.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -35.6 12.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -97.96 149.03 22.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -160.85 133.03 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.11 171.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.75 -32.48 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG22 ' CD2' ' A' ' 35' ' ' HIS . 29.2 m -70.12 -40.37 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.92 -27.43 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.48 20.76 31.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.6 mmtt -62.29 -179.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -155.35 139.84 16.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -146.94 108.53 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -45.1 -21.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.6 m -113.27 165.23 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 43.2 t -86.92 -56.39 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' SER . 63.4 p -37.72 -68.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 19.2 m170 -44.02 -58.74 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 22' ' ' PHE . 10.9 tp -44.42 -42.13 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.06 -55.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -52.73 -25.69 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.2 t60 -82.4 -26.19 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -65.46 -5.02 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -110.44 9.98 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -86.62 -29.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG22 ' A' ' 17' ' ' VAL . 32.0 m-70 -78.64 -57.75 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.5 p -68.13 77.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.61 -123.93 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -61.83 123.6 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 42.3 ttt85 -50.36 138.34 21.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.5 Cg_endo -69.72 164.99 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -60.65 179.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.37 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 174.79 9.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -48.29 143.6 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 m -69.09 145.33 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.468 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -117.96 177.11 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -38.37 132.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.75 -158.79 31.05 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -127.98 154.35 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -157.08 125.57 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.31 160.6 13.51 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -67.65 -4.75 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -122.04 35.03 3.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLY . 5.1 pt-20 -35.35 131.25 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 136.09 93.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 1.4 m-30 -91.36 141.63 28.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -156.86 135.39 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.97 171.22 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -120.83 -33.34 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 HG23 ' CD2' ' A' ' 35' ' ' HIS . 29.8 m -69.7 -41.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -114.88 -27.86 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.51 21.91 30.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 13.5 mmmt -63.63 178.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.42 137.69 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.7 m-85 -145.15 111.61 5.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -49.84 -21.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.4 m -112.46 152.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 t -76.92 -39.44 50.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -52.99 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 16.2 m170 -41.58 -55.1 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 22' ' ' PHE . 9.5 tp -49.29 -40.16 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.31 -55.1 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -55.84 -27.4 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.8 t60 -80.3 -26.29 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -64.92 -5.59 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.5 m -110.87 12.12 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.7 m -91.24 -15.39 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' HG23 ' A' ' 17' ' ' VAL . 37.1 m-70 -94.97 -48.31 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.2 m 36.91 43.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . 104.41 -139.76 14.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' GLY . 9.4 pt-20 33.8 33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 37' ' ' GLY . 3.7 ptm180 -85.15 143.54 39.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 154.47 67.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -112.31 32.77 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.77 64.35 4.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.9 Cg_endo -69.79 -2.55 10.38 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.1 t -35.7 -50.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' GLY . 53.4 p -79.48 -54.67 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -145.62 135.79 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -143.65 176.19 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.85 159.53 29.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -98.47 113.84 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -92.26 133.83 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.97 -85.83 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t 39.43 40.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 111.192 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.52 141.47 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -91.02 129.67 37.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -78.62 145.14 66.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -40.65 5.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -94.45 134.43 36.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -150.06 126.85 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -54.71 169.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -119.38 -33.35 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 35' ' ' HIS . 24.1 m -69.73 -42.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -113.29 -31.26 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.63 21.55 21.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.2 mmtt -64.14 179.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.15 139.46 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -147.87 106.87 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -19.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 HG23 ' CG ' ' A' ' 27' ' ' HIS . 4.6 m -111.96 154.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.7 t -80.59 -41.2 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -52.8 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CG ' HG23 ' A' ' 24' ' ' VAL . 33.0 m170 -48.34 -58.51 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.4 tp -44.95 -40.27 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.58 -56.74 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -52.95 -27.47 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -84.84 -23.49 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -110.27 7.61 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.7 m -82.73 -18.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.2 m-70 -98.25 32.79 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -159.77 121.87 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.35 175.61 13.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -114.87 100.18 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -132.73 142.56 45.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.737 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.85 9.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m -75.48 -65.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 -107.08 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.92 69.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -116.26 96.28 5.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -39.95 114.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.512 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -42.86 -48.06 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -71.47 131.23 43.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.55 -54.59 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -64.38 113.84 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -118.44 43.45 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.33 86.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 t -56.32 -19.49 14.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.3 131.08 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.93 127.48 33.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -85.08 141.41 37.52 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.516 0.674 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -31.05 21.4 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.57 136.38 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 7.9 tttp -150.9 132.75 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.91 174.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -126.87 -26.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG22 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -78.0 -40.64 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' N ' HG21 ' A' ' 17' ' ' VAL . 31.8 p -113.16 -33.37 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.7 21.81 11.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.3 mmtp -66.45 173.5 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.43 127.85 9.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -135.09 112.65 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -51.38 -16.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 17.7 m -112.25 161.34 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -85.5 -56.96 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -38.93 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.9 m170 -46.58 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.8 tp -39.65 -45.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.95 -56.16 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -55.06 -24.98 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.52 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.0 t60 -81.95 -23.62 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -68.62 -3.08 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -111.79 0.79 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 3.6 m -77.75 -33.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 17' ' ' VAL . 36.4 m-70 -74.43 -57.02 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.9 p -82.92 120.75 26.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.35 -100.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 4.5 mp0 -124.45 -2.61 7.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -41.11 149.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.09 14.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 m -43.02 166.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.09 74.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.89 1.84 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -165.65 162.26 18.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 43.75 38.65 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.482 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -106.92 168.1 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -57.36 169.38 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.74 164.89 30.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 93.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -89.6 143.02 27.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.18 61.03 7.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -78.05 76.75 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.73 101.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -92.06 129.98 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -81.8 143.5 50.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.91 7.07 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -95.4 134.97 37.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -149.57 130.19 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.61 178.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -128.74 -30.35 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -74.21 -38.95 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -117.77 -28.19 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.97 21.4 25.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.6 mmtt -64.64 172.77 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -147.09 139.76 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -147.27 108.89 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -48.13 -19.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' A' ' 27' ' ' HIS . 15.0 m -112.15 158.05 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.8 t -88.31 -36.53 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -55.49 -54.87 38.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 24' ' ' VAL . 38.1 m170 -58.29 -59.7 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD11 ' NE2' ' A' ' 32' ' ' HIS . 12.8 tp -41.71 -35.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.35 -57.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.62 -24.6 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.5 t60 -84.63 -23.2 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' NE2' HD11 ' A' ' 28' ' ' LEU . 11.5 m-70 -68.42 -2.36 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.4 p -111.2 4.0 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 31' ' ' HIS . 2.9 m -78.71 -27.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' CG2' ' A' ' 17' ' ' VAL . 17.7 m-70 -89.26 32.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -156.19 120.06 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.35 -44.03 0.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -98.25 176.32 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 39' ' ' ARG . 2.2 tmm_? -46.98 126.71 8.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.79 136.03 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.0 m -35.88 -48.49 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.08 149.08 7.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.46 30.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -113.64 -50.79 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m 41.43 42.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.499 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -107.2 107.26 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -104.08 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 65.06 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -117.86 42.16 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -70.66 153.6 42.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.89 -95.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 t 39.6 39.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.42 114.52 2.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -60.67 133.92 56.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HG2' ' CA ' ' A' ' 23' ' ' ARG . 21.0 mttp -89.17 145.22 33.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -32.85 17.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -101.23 137.46 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -151.82 131.45 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -58.09 176.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -126.95 -31.08 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 35' ' ' HIS . 25.1 m -74.36 -39.58 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 30.7 p -115.97 -27.01 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.74 19.88 35.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -61.34 173.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.69 131.67 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 5.9 m-85 -139.97 109.34 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . 7.0 ptm180 -43.27 -25.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 2.9 m -107.8 155.48 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -78.92 -43.06 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.8 t -50.51 -70.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 24.5 m170 -39.21 -53.6 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.2 tp -55.53 -36.79 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 91.4 t -63.89 -54.47 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -58.01 -25.52 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -80.85 -23.74 38.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -68.53 -2.28 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -111.36 5.58 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 m -85.76 -26.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 17' ' ' VAL . 43.2 m-70 -80.24 -50.49 10.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -56.27 143.04 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.01 90.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.84 115.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.8 139.37 93.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.92 3.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.8 p -75.61 56.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.02 95.55 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.5 10.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -73.17 146.74 45.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -161.31 164.27 30.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.478 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -102.89 123.36 46.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -87.44 88.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.55 123.46 6.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -49.77 140.61 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -85.86 51.18 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.786 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.61 151.32 9.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -108.99 40.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.25 118.94 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.19 123.93 18.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -62.47 142.0 96.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -38.9 7.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -92.02 142.63 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -156.41 132.97 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -59.0 178.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -129.26 -30.44 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.553 HG23 ' CD2' ' A' ' 35' ' ' HIS . 31.1 m -75.51 -43.97 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -110.04 -30.54 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.69 24.05 16.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -66.14 -177.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.0 138.47 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -146.69 112.6 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -50.14 -18.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 27' ' ' HIS . 2.6 m -115.68 148.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 t -70.74 -53.85 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 13.6 t -41.35 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' HG21 ' A' ' 24' ' ' VAL . 32.1 m170 -35.02 -57.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 13.9 tp -51.91 -43.59 63.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' SER . 96.1 t -56.74 -51.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -61.44 -26.55 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 9.8 t60 -78.98 -22.18 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' NE2' HD13 ' A' ' 28' ' ' LEU . 14.3 m-70 -69.87 -1.18 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -113.79 7.26 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.5 m -85.91 -27.54 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 17' ' ' VAL . 36.8 m-70 -78.97 -44.58 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.1 p -71.42 92.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.98 -162.68 36.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.98 173.26 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -145.13 143.41 20.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -161.77 126.0 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.42 103.75 2.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.8 t -102.59 111.89 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 m -112.93 -48.45 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.525 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.826 0.261 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -105.54 141.3 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -154.76 133.35 12.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -57.28 177.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -128.7 -29.61 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 11.6 m -75.76 -39.43 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.03 -29.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.76 22.5 23.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -67.38 173.33 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.64 141.12 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 1.1 m-85 -146.25 108.02 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.8 ptp180 -42.36 -26.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.7 m -108.91 163.48 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.4 t -89.57 -39.56 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 p -51.9 -59.39 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m170 -53.2 -56.97 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -44.25 -39.73 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' SER . 93.7 t -61.75 -57.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.76 -25.69 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -81.85 -25.35 35.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.22 -3.61 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -112.61 5.81 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.0 m -82.57 -33.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 34.0 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.79 0.246 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.76 142.88 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -158.81 129.29 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -55.47 174.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -125.42 -32.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG21 ' CD2' ' A' ' 35' ' ' HIS . 15.8 m -72.36 -43.2 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -109.48 -33.9 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.59 22.51 14.01 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 4.7 mmtp -68.1 174.95 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -149.58 143.53 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 1.2 m-85 -150.9 108.64 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -46.08 -21.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.7 m -110.76 157.14 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.966 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 t -85.74 -33.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -57.83 -61.16 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 17.4 m170 -52.06 -56.38 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.9 tp -46.32 -38.84 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 25' ' ' SER . 90.3 t -63.02 -60.11 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -52.28 -22.73 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -85.04 -23.54 28.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.52 -4.0 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -112.98 10.83 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG13 ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -88.85 -12.8 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 17' ' ' VAL . 38.6 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.807 0.253 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.46 144.0 33.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -155.93 134.71 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.67 176.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -128.31 -29.13 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 10.6 m -75.96 -41.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -112.69 -32.28 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.25 24.67 12.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 10.2 mmmt -71.21 178.1 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.71 137.99 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.6 m-85 -142.61 108.57 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -41.75 -23.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.9 m -107.36 160.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.1 t -85.13 -43.75 13.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' VAL . 10.5 t -53.25 -72.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.3 m170 -36.73 -53.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' NE2' ' A' ' 32' ' ' HIS . 8.2 tp -53.35 -39.17 63.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 25' ' ' SER . 88.4 t -61.1 -52.69 58.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.26 -26.2 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -80.09 -24.01 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.533 ' NE2' HD11 ' A' ' 28' ' ' LEU . 14.8 m-70 -68.51 -3.17 10.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -113.56 8.91 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -88.02 -24.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.784 0.243 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -88.16 139.18 30.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' CYS . 8.9 ttmt -155.69 134.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.39 172.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.06 -21.37 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.3 m -85.02 -40.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.6 -29.14 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.4 21.92 25.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtm -66.17 177.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.8 143.27 24.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -150.54 115.89 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -54.08 -20.81 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.7 m -114.3 149.69 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.0 t -70.34 -52.87 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' VAL . 13.8 t -43.48 -72.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CG ' ' CG2' ' A' ' 24' ' ' VAL . 54.0 m170 -35.46 -53.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.2 tp -56.6 -40.28 75.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' SER . 79.6 t -59.01 -51.41 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.36 -26.79 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -81.63 -20.46 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.18 -0.37 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.3 p -114.68 10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -85.9 -19.99 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.795 0.248 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -105.72 141.24 37.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -156.08 130.63 8.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -55.99 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -126.38 -26.89 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 12.3 m -79.5 -40.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -112.74 -30.54 7.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 25.68 17.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.5 mmmt -70.39 177.49 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.99 142.98 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 3.4 m-85 -150.4 108.91 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG3' HG13 ' A' ' 24' ' ' VAL . 18.7 ptt85 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 27' ' ' HIS . 5.1 m -112.81 156.69 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.1 t -79.51 -43.39 23.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.7 t -53.65 -71.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' HG21 ' A' ' 24' ' ' VAL . 43.5 m170 -37.04 -50.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 25' ' ' SER . 88.0 t -60.23 -58.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -54.14 -24.16 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -80.85 -24.09 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' NE2' HD11 ' A' ' 28' ' ' LEU . 17.8 m-70 -69.04 -3.66 13.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 p -111.43 6.51 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -84.63 -21.35 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 17' ' ' VAL . 39.1 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.817 0.257 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -105.8 143.47 33.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -154.16 135.83 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.65 178.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -129.19 -29.99 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.929 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.6 m -75.42 -40.85 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 22.0 p -114.04 -28.48 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.47 24.13 22.16 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 15.3 mmtm -69.8 176.62 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -152.17 138.29 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -141.47 110.41 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.13 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 13.8 m -111.87 166.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.746 ' O ' HG23 ' A' ' 29' ' ' VAL . 44.3 t -94.68 -40.27 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -51.73 -57.33 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.6 m170 -55.84 -60.11 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.2 tp -40.55 -38.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 25' ' ' SER . 89.8 t -63.03 -55.74 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -53.66 -21.64 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.516 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.4 t60 -86.84 -22.34 25.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -67.5 -3.23 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.5 m -112.3 10.16 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -87.52 -22.73 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.929 ' CD2' HG21 ' A' ' 17' ' ' VAL . 33.2 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.821 0.259 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -116.83 110.44 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -121.09 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.4 t -57.37 179.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -131.23 -31.34 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG21 ' ND1' ' A' ' 35' ' ' HIS . 20.2 m -72.75 -42.88 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.4 p -113.46 -33.07 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.77 10.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 21.8 mmtm -67.49 176.42 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.39 147.32 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 4.3 m-85 -152.54 125.89 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -27.36 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -109.21 165.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.811 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.8 t -85.04 -48.65 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.14 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -39.32 -57.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 32' ' ' HIS . 9.5 tp -53.15 -40.68 64.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 25' ' ' SER . 86.7 t -61.08 -51.12 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.53 -29.41 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -75.84 -23.61 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.772 ' CE1' HD11 ' A' ' 28' ' ' LEU . 9.4 m80 -68.46 -2.28 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -113.8 10.49 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.59 -33.9 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.743 ' ND1' HG21 ' A' ' 17' ' ' VAL . 8.6 m80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.813 0.255 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.404 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -107.44 112.2 24.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -123.14 135.89 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -58.09 174.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -126.31 -23.82 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 5.7 m -82.4 -40.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.01 -28.99 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.61 24.18 21.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -70.54 177.63 3.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.303 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.23 148.99 29.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -152.79 124.25 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -22.25 39.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.27 165.3 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.1 t -91.67 -40.52 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -52.53 -55.72 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -56.51 -57.74 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.9 tp -46.09 -35.57 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' SER . 71.2 t -65.89 -55.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -55.06 -24.19 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.1 t60 -84.53 -24.59 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -65.2 -5.13 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -110.93 11.06 22.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -89.99 -12.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 21.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.795 0.248 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -101.34 142.56 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -157.79 129.37 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.24 174.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -126.75 -26.62 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.5 m -79.78 -36.87 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -115.68 -32.05 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.42 25.46 13.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.3 mmmt -71.14 175.83 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.24 141.88 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.07 107.4 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.709 ' HG3' HG13 ' A' ' 24' ' ' VAL . 9.9 ptm180 -45.58 -21.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.1 m -113.29 158.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 t -80.31 -45.75 17.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.3 t -46.45 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 17.1 m170 -36.22 -54.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.7 tp -53.68 -38.66 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 25' ' ' SER . 98.0 t -61.93 -54.78 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.31 -27.06 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.685 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.3 t60 -80.56 -21.98 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -70.14 -1.25 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -114.54 7.81 16.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 m -83.73 -27.87 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' HG21 ' A' ' 17' ' ' VAL . 19.1 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.811 0.255 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.6 110.76 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 35.6 tttt -122.52 136.69 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.18 179.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -129.11 -29.43 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.893 HG21 ' CD2' ' A' ' 35' ' ' HIS . 27.0 m -76.92 -41.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 21.5 p -113.6 -28.72 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.73 24.22 21.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 6.8 mmmt -69.82 177.66 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.17 151.01 31.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.5 m-85 -154.91 121.33 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -54.54 -25.42 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.619 HG23 ' H ' ' A' ' 27' ' ' HIS . 10.5 m -107.98 166.5 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 1.005 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.3 t -96.14 -31.83 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 p -61.96 -43.01 99.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.619 ' H ' HG23 ' A' ' 24' ' ' VAL . 32.1 m170 -68.44 -55.71 10.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.9 tp -49.66 -28.51 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 25' ' ' SER . 84.3 t -69.89 -52.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -59.91 -24.85 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -81.35 -25.04 36.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 28' ' ' LEU . 11.1 m-70 -66.1 -4.18 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 m -112.03 12.67 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.06 -18.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.893 ' CD2' HG21 ' A' ' 17' ' ' VAL . 16.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.78 0.242 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.26 118.3 33.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -130.95 132.61 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.3 179.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -130.07 -29.24 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 6.3 m -77.41 -39.18 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -114.37 -31.31 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.48 26.98 12.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 5.5 mmtp -71.84 177.31 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.5 147.14 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 3.0 m-85 -153.88 117.91 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -31.0 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.41 165.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.992 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.5 t -90.56 -35.56 14.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 m -56.22 -61.99 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -48.87 -55.25 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD11 ' NE2' ' A' ' 32' ' ' HIS . 13.2 tp -50.41 -37.9 40.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 25' ' ' SER . 86.5 t -62.74 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.31 -26.0 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -80.19 -25.22 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' NE2' HD11 ' A' ' 28' ' ' LEU . 37.2 m-70 -68.21 -2.31 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.65 8.42 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 m -84.59 -27.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 12.3 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.807 0.253 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -113.11 109.17 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -118.97 138.01 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.14 179.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -129.39 -29.3 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.806 HG21 ' CD2' ' A' ' 35' ' ' HIS . 30.4 m -76.29 -42.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.5 p -112.99 -29.43 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.24 22.46 22.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.0 mmtm -67.22 176.3 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.5 147.44 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.2 m-85 -151.57 117.7 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -52.64 -20.25 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m -115.07 159.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 29' ' ' VAL . 37.6 t -82.73 -43.54 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -50.49 -61.33 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.9 m170 -48.82 -57.86 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD11 ' CE1' ' A' ' 32' ' ' HIS . 7.8 tp -47.64 -39.54 17.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 25' ' ' SER . 87.5 t -62.89 -55.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -56.34 -23.39 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.592 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -82.63 -23.24 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.602 ' CE1' HD11 ' A' ' 28' ' ' LEU . 13.0 m170 -69.23 -1.54 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -112.41 7.45 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -85.32 -32.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.806 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.779 0.241 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -117.51 111.5 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -122.83 134.67 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.75 179.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -129.48 -29.56 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.5 m -77.01 -42.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' VAL . 22.3 p -111.88 -29.23 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.34 24.12 19.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mmtt -68.65 175.42 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.89 147.67 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 4.5 m-85 -152.34 121.55 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.27 -20.47 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.44 162.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.9 t -82.17 -53.4 6.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -40.59 -72.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -53.17 -39.38 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' SER . 87.4 t -62.75 -52.14 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -60.37 -22.45 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 t60 -83.91 -21.92 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.85 -2.79 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -113.87 12.82 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.93 -18.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.851 ' CD2' HG21 ' A' ' 17' ' ' VAL . 28.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.788 0.245 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -97.96 149.03 22.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -160.85 133.03 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -61.11 171.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.75 -32.48 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.2 m -70.12 -40.37 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.92 -27.43 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.48 20.76 31.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.6 mmtt -62.29 -179.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -155.35 139.84 16.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -146.94 108.53 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 24' ' ' VAL . 3.7 ptp85 -45.1 -21.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.6 m -113.27 165.23 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 43.2 t -86.92 -56.39 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' SER . 63.4 p -37.72 -68.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 19.2 m170 -44.02 -58.74 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 28' ' ' LEU . 10.9 tp -44.42 -42.13 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.06 -55.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -52.73 -25.69 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.619 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.2 t60 -82.4 -26.19 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -65.46 -5.02 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -110.44 9.98 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -86.62 -29.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.868 ' CD2' HG21 ' A' ' 17' ' ' VAL . 32.0 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.792 0.246 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 1.4 m-30 -91.36 141.63 28.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -156.86 135.39 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -64.97 171.22 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -120.83 -33.34 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.8 m -69.7 -41.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.3 p -114.88 -27.86 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.51 21.91 30.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 13.5 mmmt -63.63 178.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.42 137.69 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 1.7 m-85 -145.15 111.61 5.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.5 ptt-85 -49.84 -21.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.4 m -112.46 152.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 t -76.92 -39.44 50.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -52.99 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 16.2 m170 -41.58 -55.1 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 32' ' ' HIS . 9.5 tp -49.29 -40.16 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 25' ' ' SER . 97.2 t -61.31 -55.1 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.84 -27.4 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.599 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.8 t60 -80.3 -26.29 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 28' ' ' LEU . 19.0 m-70 -64.92 -5.59 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.5 m -110.87 12.12 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -91.24 -15.39 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.743 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.784 0.243 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -94.45 134.43 36.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -150.06 126.85 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -54.71 169.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -119.38 -33.35 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.857 HG21 ' CD2' ' A' ' 35' ' ' HIS . 24.1 m -69.73 -42.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -113.29 -31.26 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.63 21.55 21.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.2 mmtt -64.14 179.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.15 139.46 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -147.87 106.87 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -19.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' HIS . 4.6 m -111.96 154.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.828 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.7 t -80.59 -41.2 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -52.8 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.0 m170 -48.34 -58.51 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.4 tp -44.95 -40.27 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 25' ' ' SER . 60.3 t -60.58 -56.74 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -52.95 -27.47 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.694 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.9 t60 -84.84 -23.49 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -110.27 7.61 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -82.73 -18.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.857 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.789 0.245 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.57 136.38 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 7.9 tttp -150.9 132.75 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -57.91 174.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -126.87 -26.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -78.0 -40.64 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -113.16 -33.37 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.7 21.81 11.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.3 mmtp -66.45 173.5 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.43 127.85 9.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -135.09 112.65 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -51.38 -16.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.7 m -112.25 161.34 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.6 t -85.5 -56.96 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -38.93 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -46.58 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.8 tp -39.65 -45.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' SER . 57.5 t -58.95 -56.16 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.06 -24.98 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.0 t60 -81.95 -23.62 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' NE2' HD11 ' A' ' 28' ' ' LEU . 22.3 m-70 -68.62 -3.08 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -111.79 0.79 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -77.75 -33.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.4 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.213 0 CA-C-O 120.78 0.242 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -95.4 134.97 37.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -149.57 130.19 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.61 178.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -128.74 -30.35 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.905 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -74.21 -38.95 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -117.77 -28.19 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.97 21.4 25.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.6 mmtt -64.64 172.77 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -147.09 139.76 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -147.27 108.89 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' HG13 ' A' ' 24' ' ' VAL . 5.5 ptt180 -48.13 -19.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG21 ' CG ' ' A' ' 27' ' ' HIS . 15.0 m -112.15 158.05 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.8 t -88.31 -36.53 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -55.49 -54.87 38.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.548 ' CG ' HG21 ' A' ' 24' ' ' VAL . 38.1 m170 -58.29 -59.7 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.8 tp -41.71 -35.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' SER . 96.9 t -64.35 -57.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -52.62 -24.6 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.5 t60 -84.63 -23.2 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -68.42 -2.36 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.4 p -111.2 4.0 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -78.71 -27.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.905 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.7 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.78 0.242 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -101.23 137.46 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -151.82 131.45 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.09 176.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -126.95 -31.08 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG21 ' CD2' ' A' ' 35' ' ' HIS . 25.1 m -74.36 -39.58 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 30.7 p -115.97 -27.01 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.74 19.88 35.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -61.34 173.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.69 131.67 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 5.9 m-85 -139.97 109.34 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -43.27 -25.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.8 155.48 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.1 t -78.92 -43.06 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.8 t -50.51 -70.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -39.21 -53.6 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' NE2' ' A' ' 32' ' ' HIS . 14.2 tp -55.53 -36.79 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' SER . 91.4 t -63.89 -54.47 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -58.01 -25.52 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -80.85 -23.74 38.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' NE2' HD11 ' A' ' 28' ' ' LEU . 35.4 m-70 -68.53 -2.28 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -111.36 5.58 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.76 -26.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HG21 ' A' ' 17' ' ' VAL . 43.2 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.786 0.244 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -92.02 142.63 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -156.41 132.97 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -59.0 178.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -129.26 -30.44 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.1 m -75.51 -43.97 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 17' ' ' VAL . 24.1 p -110.04 -30.54 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.69 24.05 16.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -66.14 -177.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.0 138.47 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -146.69 112.6 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 24' ' ' VAL . 8.3 ptt180 -50.14 -18.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.6 m -115.68 148.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 29' ' ' VAL . 40.2 t -70.74 -53.85 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 13.6 t -41.35 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.6 m-70 -35.02 -57.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 22' ' ' PHE . 13.9 tp -51.91 -43.59 63.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 25' ' ' SER . 96.1 t -56.74 -51.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -61.44 -26.55 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.628 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.8 t60 -78.98 -22.18 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.462 ' CE1' HD11 ' A' ' 28' ' ' LEU . 7.5 m170 -69.87 -1.18 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -113.79 7.26 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.5 m -85.91 -27.54 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.793 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -146.31 140.13 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -148.66 146.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.49 -59.99 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -84.84 -42.65 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -85.71 121.86 28.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.15 99.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -66.94 -13.81 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.49 105.61 2.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.08 125.98 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 28.6 mttp -71.63 152.55 93.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -105.54 141.3 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -154.76 133.35 12.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -57.28 177.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -128.7 -29.61 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 11.6 m -75.76 -39.43 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.03 -29.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.76 22.5 23.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -67.38 173.33 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.64 141.12 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 1.1 m-85 -146.25 108.02 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.8 ptp180 -42.36 -26.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.7 m -108.91 163.48 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.4 t -89.57 -39.56 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 p -51.9 -59.39 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m170 -53.2 -56.97 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -44.25 -39.73 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' SER . 93.7 t -61.75 -57.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.76 -25.69 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -81.85 -25.35 35.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.22 -3.61 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -112.61 5.81 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.0 m -82.57 -33.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 34.0 m-70 -73.44 -43.7 59.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -40.77 -49.24 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.78 74.82 2.46 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.53 119.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -102.19 151.59 38.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 91.26 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.6 m -161.68 175.38 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.16 -157.07 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.11 35.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 m -44.01 144.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -70.8 100.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.464 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -69.61 102.92 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.87 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -60.96 153.4 25.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.93 -171.65 41.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -73.17 171.06 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -150.98 163.59 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.5 90.42 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.1 t -73.87 -44.95 53.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 8' ' ' THR . . . -68.96 98.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.92 134.17 56.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -83.88 144.55 45.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.544 0.688 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.18 24.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.76 142.88 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -158.81 129.29 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -55.47 174.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -125.42 -32.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG21 ' CD2' ' A' ' 35' ' ' HIS . 15.8 m -72.36 -43.2 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -109.48 -33.9 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.59 22.51 14.01 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 4.7 mmtp -68.1 174.95 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -149.58 143.53 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 1.2 m-85 -150.9 108.64 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -46.08 -21.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.7 m -110.76 157.14 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.966 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 t -85.74 -33.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -57.83 -61.16 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 17.4 m170 -52.06 -56.38 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.9 tp -46.32 -38.84 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 25' ' ' SER . 90.3 t -63.02 -60.11 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -52.28 -22.73 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -85.04 -23.54 28.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.52 -4.0 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -112.98 10.83 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG13 ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -88.85 -12.8 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 17' ' ' VAL . 38.6 m-70 -95.01 -49.04 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -53.19 144.12 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.72 -96.53 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -171.27 122.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mmt-85 -58.99 139.65 87.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -5.39 16.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.9 p -49.5 168.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.1 65.42 3.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.63 61.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -43.48 111.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 m -109.29 120.17 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 p -172.68 170.27 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -118.62 134.56 55.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.6 -135.63 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m 58.32 43.77 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -112.49 42.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -158.51 -116.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 8' ' ' THR . 11.9 t 30.71 50.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.51 65.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' LYS . 1.9 pm0 -69.32 91.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 33.2 mttt -35.94 143.14 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -27.81 25.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.46 144.0 33.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -155.93 134.71 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.67 176.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -128.31 -29.13 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 10.6 m -75.96 -41.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -112.69 -32.28 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.25 24.67 12.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 10.2 mmmt -71.21 178.1 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.71 137.99 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.6 m-85 -142.61 108.57 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -41.75 -23.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.9 m -107.36 160.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.1 t -85.13 -43.75 13.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' VAL . 10.5 t -53.25 -72.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.3 m170 -36.73 -53.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' NE2' ' A' ' 32' ' ' HIS . 8.2 tp -53.35 -39.17 63.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 25' ' ' SER . 88.4 t -61.1 -52.69 58.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.26 -26.2 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -80.09 -24.01 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.533 ' NE2' HD11 ' A' ' 28' ' ' LEU . 14.8 m-70 -68.51 -3.17 10.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -113.56 8.91 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -88.02 -24.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 -80.95 -54.98 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -70.51 100.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.8 -131.22 6.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -125.24 160.81 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -150.81 153.08 33.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.78 1.91 4.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.1 t -34.71 127.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.67 167.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.11 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.628 2.218 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -139.61 176.86 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 p -91.23 41.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.446 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -113.25 159.31 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -136.2 118.81 15.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.62 43.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -124.7 114.64 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -164.06 162.62 23.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.12 78.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -83.73 42.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.41 141.52 5.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -85.26 121.09 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -62.56 150.19 86.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -42.99 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -88.16 139.18 30.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' CYS . 8.9 ttmt -155.69 134.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.39 172.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.06 -21.37 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.3 m -85.02 -40.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.6 -29.14 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.4 21.92 25.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtm -66.17 177.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.8 143.27 24.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -150.54 115.89 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -54.08 -20.81 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.7 m -114.3 149.69 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.0 t -70.34 -52.87 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' VAL . 13.8 t -43.48 -72.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CG ' ' CG2' ' A' ' 24' ' ' VAL . 54.0 m170 -35.46 -53.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.2 tp -56.6 -40.28 75.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' SER . 79.6 t -59.01 -51.41 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.36 -26.79 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -81.63 -20.46 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.18 -0.37 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.3 p -114.68 10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -85.9 -19.99 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 -95.59 28.48 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -82.81 176.83 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 134.71 12.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.12 5.17 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -145.5 154.72 53.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.581 0.705 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 177.61 5.41 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 p 45.5 39.53 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.78 166.22 32.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.13 19.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -77.65 134.41 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.7 p -169.72 175.62 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -105.24 100.15 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -104.72 153.93 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.13 166.94 16.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -98.19 89.19 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -139.87 142.5 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.54 -176.66 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 9' ' ' GLY . 11.4 t -90.03 -41.66 11.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.784 0.326 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' HG23 ' A' ' 8' ' ' THR . . . 179.0 132.87 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.21 133.91 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -49.03 145.85 6.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.83 24.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -105.72 141.24 37.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -156.08 130.63 8.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -55.99 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -126.38 -26.89 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 12.3 m -79.5 -40.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -112.74 -30.54 7.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 25.68 17.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.5 mmmt -70.39 177.49 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.99 142.98 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 3.4 m-85 -150.4 108.91 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG3' HG13 ' A' ' 24' ' ' VAL . 18.7 ptt85 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 27' ' ' HIS . 5.1 m -112.81 156.69 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.1 t -79.51 -43.39 23.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.7 t -53.65 -71.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' HG21 ' A' ' 24' ' ' VAL . 43.5 m170 -37.04 -50.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 25' ' ' SER . 88.0 t -60.23 -58.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -54.14 -24.16 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -80.85 -24.09 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' NE2' HD11 ' A' ' 28' ' ' LEU . 17.8 m-70 -69.04 -3.66 13.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 p -111.43 6.51 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -84.63 -21.35 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 17' ' ' VAL . 39.1 m-70 -85.6 -41.1 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -39.25 -57.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.31 61.93 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -128.34 86.75 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -109.29 141.68 24.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -17.55 37.61 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -79.34 156.52 27.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.83 -151.12 5.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -104.9 -44.58 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -37.68 106.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.062 -0.854 . . . . 0.0 112.443 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -136.56 132.55 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -136.67 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.89 -43.5 1.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -54.36 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -102.82 169.05 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.95 132.72 2.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.0 t -81.93 -42.44 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.111 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 8' ' ' THR . . . -146.29 149.91 22.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 25.2 mttp -69.56 152.34 96.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -31.83 19.95 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -105.8 143.47 33.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -154.16 135.83 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.65 178.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -129.19 -29.99 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.929 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.6 m -75.42 -40.85 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 22.0 p -114.04 -28.48 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.47 24.13 22.16 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 15.3 mmtm -69.8 176.62 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -152.17 138.29 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -141.47 110.41 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.13 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 13.8 m -111.87 166.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.746 ' O ' HG23 ' A' ' 29' ' ' VAL . 44.3 t -94.68 -40.27 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -51.73 -57.33 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.6 m170 -55.84 -60.11 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.2 tp -40.55 -38.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 25' ' ' SER . 89.8 t -63.03 -55.74 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -53.66 -21.64 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.516 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.4 t60 -86.84 -22.34 25.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -67.5 -3.23 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.5 m -112.3 10.16 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -87.52 -22.73 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.929 ' CD2' HG21 ' A' ' 17' ' ' VAL . 33.2 m-70 -87.41 -47.55 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.2 p -43.23 -44.33 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.38 -62.22 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -144.79 120.77 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.98 143.93 91.28 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -76.22 105.38 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.5 146.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 118.77 5.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -89.46 -46.94 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.4 m -135.5 172.46 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -79.86 147.3 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -95.39 165.89 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.43 123.8 2.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -98.29 167.05 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -146.02 113.81 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.69 63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -74.82 -47.65 29.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.531 ' N ' HG23 ' A' ' 8' ' ' THR . . . -93.43 151.4 20.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -109.0 127.72 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' HD2' ' CA ' ' A' ' 23' ' ' ARG . 16.3 mmtp -51.58 152.8 4.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.01 29.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -116.83 110.44 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -121.09 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.4 t -57.37 179.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -131.23 -31.34 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.943 HG21 ' CD2' ' A' ' 35' ' ' HIS . 20.2 m -72.75 -42.88 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.4 p -113.46 -33.07 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.77 10.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 21.8 mmtm -67.49 176.42 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.39 147.32 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 4.3 m-85 -152.54 125.89 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -56.87 -27.36 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -109.21 165.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.811 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.8 t -85.04 -48.65 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.14 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -39.32 -57.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.5 tp -53.15 -40.68 64.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 25' ' ' SER . 86.7 t -61.08 -51.12 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.53 -29.41 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -75.84 -23.61 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.579 ' NE2' HD11 ' A' ' 28' ' ' LEU . 24.7 m-70 -68.46 -2.28 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -113.8 10.49 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.59 -33.9 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.943 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.0 m-70 -75.14 -55.52 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 t -82.41 41.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.18 -85.04 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.99 110.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -91.39 151.25 42.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.8 22.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.7 m -88.15 42.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.83 72.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.85 3.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 p 62.33 45.11 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -131.46 119.01 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.461 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -160.51 163.32 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.826 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -134.67 148.02 50.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.22 -87.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -106.52 172.44 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -76.77 147.53 37.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.57 176.32 48.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -90.84 -11.4 39.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 97.77 1.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.48 129.52 34.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 21.9 mmtp -126.26 152.57 73.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -30.73 21.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -107.44 112.2 24.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -123.14 135.89 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -58.09 174.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -126.31 -23.82 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 5.7 m -82.4 -40.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.01 -28.99 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.61 24.18 21.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -70.54 177.63 3.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.303 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.23 148.99 29.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -152.79 124.25 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -57.23 -22.25 39.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.27 165.3 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.1 t -91.67 -40.52 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -52.53 -55.72 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -56.51 -57.74 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.9 tp -46.09 -35.57 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' SER . 71.2 t -65.89 -55.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -55.06 -24.19 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.1 t60 -84.53 -24.59 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -65.2 -5.13 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -110.93 11.06 22.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -89.99 -12.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 21.3 m-70 -100.21 27.25 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.4 p -93.46 -38.6 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.3 -104.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -133.71 144.76 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -119.95 146.23 41.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 166.19 28.5 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -61.81 96.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.22 161.66 21.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -159.83 133.57 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -156.29 110.76 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -114.87 137.13 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -144.13 170.87 15.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.26 110.96 3.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -58.21 -45.33 87.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -119.1 41.85 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.67 120.08 1.88 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -132.91 40.23 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.159 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.91 -177.87 24.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.2 129.53 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -80.51 144.47 57.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -32.85 17.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.351 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -101.34 142.56 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -157.79 129.37 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.24 174.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -126.75 -26.62 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.5 m -79.78 -36.87 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -115.68 -32.05 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.42 25.46 13.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.3 mmmt -71.14 175.83 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.24 141.88 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.07 107.4 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.709 ' HG3' HG13 ' A' ' 24' ' ' VAL . 9.9 ptm180 -45.58 -21.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.1 m -113.29 158.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 t -80.31 -45.75 17.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.3 t -46.45 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 17.1 m170 -36.22 -54.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.7 tp -53.68 -38.66 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 25' ' ' SER . 98.0 t -61.93 -54.78 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.31 -27.06 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.685 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.3 t60 -80.56 -21.98 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -70.14 -1.25 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -114.54 7.81 16.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 m -83.73 -27.87 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' HG21 ' A' ' 17' ' ' VAL . 19.1 m-70 -85.43 29.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -127.48 118.31 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.37 -88.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -89.97 130.2 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -77.88 137.91 61.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.25 13.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -109.34 144.7 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.27 152.66 9.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 102.49 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -85.71 42.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m 42.09 42.51 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -81.14 126.16 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -112.22 106.26 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.33 65.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -82.52 43.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.4 m -51.57 155.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.85 90.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 8' ' ' THR . 8.8 t -93.29 64.94 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 111.148 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.63 145.94 15.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -114.57 109.13 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -84.26 152.56 61.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.26 20.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.6 110.76 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 35.6 tttt -122.52 136.69 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.18 179.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -129.11 -29.43 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.893 HG21 ' CD2' ' A' ' 35' ' ' HIS . 27.0 m -76.92 -41.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 21.5 p -113.6 -28.72 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.73 24.22 21.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 6.8 mmmt -69.82 177.66 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.17 151.01 31.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.5 m-85 -154.91 121.33 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 1.6 ptt180 -54.54 -25.42 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.619 HG23 ' H ' ' A' ' 27' ' ' HIS . 10.5 m -107.98 166.5 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 1.005 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.3 t -96.14 -31.83 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 p -61.96 -43.01 99.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.619 ' H ' HG23 ' A' ' 24' ' ' VAL . 32.1 m170 -68.44 -55.71 10.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.9 tp -49.66 -28.51 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 25' ' ' SER . 84.3 t -69.89 -52.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -59.91 -24.85 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -81.35 -25.04 36.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 28' ' ' LEU . 11.1 m-70 -66.1 -4.18 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 m -112.03 12.67 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.06 -18.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.893 ' CD2' HG21 ' A' ' 17' ' ' VAL . 16.7 m-70 -95.71 -18.7 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -89.72 23.61 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 105.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.11 3.04 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.84 150.65 10.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.34 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.7 p -148.64 178.59 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.02 146.91 9.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.71 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' SER . 13.7 m -49.36 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' SER . 13.1 t -34.76 98.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -47.78 106.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -106.5 148.78 27.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.35 -56.28 6.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 p -166.36 148.33 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 p -82.28 136.21 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.65 123.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 9.6 t -74.11 -29.5 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.4 88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.66 121.93 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 31.3 mmtm -64.78 149.43 96.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -40.21 5.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.26 118.3 33.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -130.95 132.61 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.3 179.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -130.07 -29.24 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 6.3 m -77.41 -39.18 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -114.37 -31.31 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.48 26.98 12.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 5.5 mmtp -71.84 177.31 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -150.5 147.14 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 3.0 m-85 -153.88 117.91 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -31.0 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.41 165.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.992 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.5 t -90.56 -35.56 14.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 m -56.22 -61.99 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -48.87 -55.25 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD11 ' NE2' ' A' ' 32' ' ' HIS . 13.2 tp -50.41 -37.9 40.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 25' ' ' SER . 86.5 t -62.74 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.31 -26.0 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -80.19 -25.22 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' NE2' HD11 ' A' ' 28' ' ' LEU . 37.2 m-70 -68.21 -2.31 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.65 8.42 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 m -84.59 -27.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 12.3 m-70 -86.88 32.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.5 p -80.58 -44.34 19.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -132.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -134.4 152.07 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 ttt180 -120.62 138.94 28.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.861 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.4 Cg_endo -69.78 151.41 68.92 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 p -59.67 165.89 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.72 -169.73 12.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 177.08 5.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 61.01 44.04 10.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.2 p -44.87 -48.37 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.509 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -74.15 90.88 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -88.65 103.22 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.31 105.71 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.0 m -51.63 -57.68 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 50.8 p 36.09 43.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.92 61.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -57.86 -45.66 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 8' ' ' THR . . . -100.64 106.67 3.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.45 125.54 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -66.42 152.5 94.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -25.93 28.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -113.11 109.17 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -118.97 138.01 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.14 179.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -129.39 -29.3 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.806 HG21 ' CD2' ' A' ' 35' ' ' HIS . 30.4 m -76.29 -42.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.5 p -112.99 -29.43 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.24 22.46 22.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.0 mmtm -67.22 176.3 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.5 147.44 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.2 m-85 -151.57 117.7 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -52.64 -20.25 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m -115.07 159.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 29' ' ' VAL . 37.6 t -82.73 -43.54 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -50.49 -61.33 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.9 m170 -48.82 -57.86 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 28' ' ' LEU . 7.8 tp -47.64 -39.54 17.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 25' ' ' SER . 87.5 t -62.89 -55.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -56.34 -23.39 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -82.63 -23.24 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' HD11 ' A' ' 28' ' ' LEU . 20.4 m-70 -69.23 -1.54 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -112.41 7.45 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -85.32 -32.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.806 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.1 m-70 -75.56 -51.61 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -72.29 122.88 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -170.29 100.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' GLY . 39.1 mt-10 32.64 47.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -145.94 151.47 45.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.26 35.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -93.05 145.67 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.38 78.0 0.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -179.25 2.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 m -121.07 167.49 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.9 t -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.515 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 39.6 p -57.22 97.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 19.7 m -35.42 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -165.52 -73.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.459 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.2 t -35.91 150.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m 57.61 44.06 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.66 128.8 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -53.13 -39.7 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.42 172.66 31.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.02 131.97 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 24.1 mmtm -60.77 152.13 69.73 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.569 0.699 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -23.31 31.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -117.51 111.5 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -122.83 134.67 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.75 179.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -129.48 -29.56 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.5 m -77.01 -42.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' VAL . 22.3 p -111.88 -29.23 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.34 24.12 19.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mmtt -68.65 175.42 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.89 147.67 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 4.5 m-85 -152.34 121.55 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.27 -20.47 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.44 162.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.9 t -82.17 -53.4 6.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -40.59 -72.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -53.17 -39.38 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' SER . 87.4 t -62.75 -52.14 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -60.37 -22.45 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 t60 -83.91 -21.92 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.85 -2.79 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -113.87 12.82 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.93 -18.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.851 ' CD2' HG21 ' A' ' 17' ' ' VAL . 28.4 m-70 -92.8 -58.58 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 m -48.39 107.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.41 -75.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' ARG . 1.5 tp10 -115.5 150.27 36.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -37.77 132.45 0.87 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.78 36.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.301 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -83.13 84.44 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.06 -70.27 0.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -73.72 -50.43 20.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 t -80.16 97.3 6.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.511 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -171.66 154.65 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -55.94 -60.03 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.42 50.73 0.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -136.3 162.04 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -117.52 128.76 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 79.55 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -82.29 -4.12 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.124 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.42 160.95 1.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -97.99 133.04 43.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -68.43 144.11 96.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -35.6 12.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -97.96 149.03 22.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -160.85 133.03 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -61.11 171.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.75 -32.48 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.2 m -70.12 -40.37 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.92 -27.43 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.48 20.76 31.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.6 mmtt -62.29 -179.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -155.35 139.84 16.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -146.94 108.53 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 24' ' ' VAL . 3.7 ptp85 -45.1 -21.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.6 m -113.27 165.23 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 43.2 t -86.92 -56.39 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' SER . 63.4 p -37.72 -68.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 19.2 m170 -44.02 -58.74 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 28' ' ' LEU . 10.9 tp -44.42 -42.13 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.06 -55.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -52.73 -25.69 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.619 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.2 t60 -82.4 -26.19 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -65.46 -5.02 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -110.44 9.98 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -86.62 -29.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.868 ' CD2' HG21 ' A' ' 17' ' ' VAL . 32.0 m-70 -78.64 -57.75 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.5 p -68.13 77.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.61 -123.93 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -61.83 123.6 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 42.3 ttt85 -50.36 138.34 21.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.5 Cg_endo -69.72 164.99 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -60.65 179.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.37 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 174.79 9.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -48.29 143.6 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 m -69.09 145.33 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.468 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -117.96 177.11 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -38.37 132.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.75 -158.79 31.05 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -127.98 154.35 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -157.08 125.57 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.31 160.6 13.51 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -67.65 -4.75 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -122.04 35.03 3.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLY . 5.1 pt-20 -35.35 131.25 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 136.09 93.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.4 m-30 -91.36 141.63 28.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -156.86 135.39 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -64.97 171.22 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -120.83 -33.34 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.8 m -69.7 -41.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.3 p -114.88 -27.86 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.51 21.91 30.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 13.5 mmmt -63.63 178.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.42 137.69 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 1.7 m-85 -145.15 111.61 5.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.5 ptt-85 -49.84 -21.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.4 m -112.46 152.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 t -76.92 -39.44 50.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -52.99 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 16.2 m170 -41.58 -55.1 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 32' ' ' HIS . 9.5 tp -49.29 -40.16 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 25' ' ' SER . 97.2 t -61.31 -55.1 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.84 -27.4 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.599 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.8 t60 -80.3 -26.29 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 28' ' ' LEU . 19.0 m-70 -64.92 -5.59 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.5 m -110.87 12.12 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -91.24 -15.39 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.743 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 -94.97 -48.31 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.2 m 36.91 43.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . 104.41 -139.76 14.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' GLY . 9.4 pt-20 33.8 33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 37' ' ' GLY . 3.7 ptm180 -85.15 143.54 39.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 154.47 67.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -112.31 32.77 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.77 64.35 4.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.9 Cg_endo -69.79 -2.55 10.38 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.1 t -35.7 -50.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' GLY . 53.4 p -79.48 -54.67 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -145.62 135.79 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -143.65 176.19 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.85 159.53 29.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -98.47 113.84 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -92.26 133.83 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.97 -85.83 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 14.9 t 39.43 40.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 111.192 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.52 141.47 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -91.02 129.67 37.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -78.62 145.14 66.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -40.65 5.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -94.45 134.43 36.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -150.06 126.85 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -54.71 169.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -119.38 -33.35 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.857 HG21 ' CD2' ' A' ' 35' ' ' HIS . 24.1 m -69.73 -42.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -113.29 -31.26 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.63 21.55 21.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.2 mmtt -64.14 179.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.15 139.46 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -147.87 106.87 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -19.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' HIS . 4.6 m -111.96 154.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.828 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.7 t -80.59 -41.2 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -52.8 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.0 m170 -48.34 -58.51 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.4 tp -44.95 -40.27 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 25' ' ' SER . 60.3 t -60.58 -56.74 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -52.95 -27.47 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.694 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.9 t60 -84.84 -23.49 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -110.27 7.61 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -82.73 -18.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.857 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 -98.25 32.79 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -159.77 121.87 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.35 175.61 13.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -114.87 100.18 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -132.73 142.56 45.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.737 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.85 9.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m -75.48 -65.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 -107.08 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.92 69.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -116.26 96.28 5.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -39.95 114.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.512 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -42.86 -48.06 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -71.47 131.23 43.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.55 -54.59 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -64.38 113.84 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -118.44 43.45 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.33 86.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 t -56.32 -19.49 14.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.3 131.08 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.93 127.48 33.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -85.08 141.41 37.52 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.516 0.674 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -31.05 21.4 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.57 136.38 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 7.9 tttp -150.9 132.75 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -57.91 174.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -126.87 -26.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -78.0 -40.64 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -113.16 -33.37 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.7 21.81 11.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.3 mmtp -66.45 173.5 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.43 127.85 9.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -135.09 112.65 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -51.38 -16.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.7 m -112.25 161.34 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.6 t -85.5 -56.96 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -38.93 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -46.58 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.8 tp -39.65 -45.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' SER . 57.5 t -58.95 -56.16 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.06 -24.98 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.0 t60 -81.95 -23.62 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' NE2' HD11 ' A' ' 28' ' ' LEU . 22.3 m-70 -68.62 -3.08 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -111.79 0.79 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -77.75 -33.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.4 m-70 -74.43 -57.02 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.9 p -82.92 120.75 26.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.35 -100.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 4.5 mp0 -124.45 -2.61 7.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -41.11 149.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.09 14.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 m -43.02 166.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.09 74.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.89 1.84 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -165.65 162.26 18.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 43.75 38.65 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.482 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -106.92 168.1 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -57.36 169.38 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.74 164.89 30.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 93.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -89.6 143.02 27.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.18 61.03 7.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 8' ' ' THR . 6.7 t -78.05 76.75 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.73 101.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -92.06 129.98 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -81.8 143.5 50.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.91 7.07 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -95.4 134.97 37.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -149.57 130.19 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.61 178.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -128.74 -30.35 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.905 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -74.21 -38.95 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -117.77 -28.19 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.97 21.4 25.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.6 mmtt -64.64 172.77 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -147.09 139.76 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -147.27 108.89 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' HG13 ' A' ' 24' ' ' VAL . 5.5 ptt180 -48.13 -19.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG21 ' CG ' ' A' ' 27' ' ' HIS . 15.0 m -112.15 158.05 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.8 t -88.31 -36.53 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -55.49 -54.87 38.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.548 ' CG ' HG21 ' A' ' 24' ' ' VAL . 38.1 m170 -58.29 -59.7 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.8 tp -41.71 -35.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' SER . 96.9 t -64.35 -57.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -52.62 -24.6 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.5 t60 -84.63 -23.2 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -68.42 -2.36 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.4 p -111.2 4.0 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -78.71 -27.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.905 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.7 m-70 -89.26 32.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -156.19 120.06 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.35 -44.03 0.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -98.25 176.32 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 39' ' ' ARG . 2.2 tmm_? -46.98 126.71 8.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.79 136.03 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.0 m -35.88 -48.49 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.08 149.08 7.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.46 30.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -113.64 -50.79 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m 41.43 42.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.499 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -107.2 107.26 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -104.08 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 65.06 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -117.86 42.16 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -70.66 153.6 42.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.89 -95.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 t 39.6 39.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.42 114.52 2.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -60.67 133.92 56.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG2' ' CA ' ' A' ' 23' ' ' ARG . 21.0 mttp -89.17 145.22 33.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -32.85 17.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -101.23 137.46 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -151.82 131.45 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.09 176.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -126.95 -31.08 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG21 ' CD2' ' A' ' 35' ' ' HIS . 25.1 m -74.36 -39.58 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 30.7 p -115.97 -27.01 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.74 19.88 35.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -61.34 173.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.69 131.67 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 5.9 m-85 -139.97 109.34 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . 7.0 ptm180 -43.27 -25.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.8 155.48 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.1 t -78.92 -43.06 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.8 t -50.51 -70.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -39.21 -53.6 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' NE2' ' A' ' 32' ' ' HIS . 14.2 tp -55.53 -36.79 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' SER . 91.4 t -63.89 -54.47 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -58.01 -25.52 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -80.85 -23.74 38.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' NE2' HD11 ' A' ' 28' ' ' LEU . 35.4 m-70 -68.53 -2.28 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -111.36 5.58 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.76 -26.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HG21 ' A' ' 17' ' ' VAL . 43.2 m-70 -80.24 -50.49 10.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -56.27 143.04 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.01 90.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.84 115.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.8 139.37 93.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.92 3.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.8 p -75.61 56.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.02 95.55 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.5 10.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -73.17 146.74 45.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -161.31 164.27 30.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.478 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -102.89 123.36 46.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -87.44 88.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.55 123.46 6.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -49.77 140.61 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -85.86 51.18 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.786 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.61 151.32 9.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -108.99 40.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.25 118.94 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.19 123.93 18.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -62.47 142.0 96.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -38.9 7.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -92.02 142.63 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -156.41 132.97 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -59.0 178.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -129.26 -30.44 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.1 m -75.51 -43.97 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 17' ' ' VAL . 24.1 p -110.04 -30.54 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.69 24.05 16.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -66.14 -177.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.0 138.47 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -146.69 112.6 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 24' ' ' VAL . 8.3 ptt180 -50.14 -18.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.6 m -115.68 148.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 29' ' ' VAL . 40.2 t -70.74 -53.85 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 13.6 t -41.35 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.6 m-70 -35.02 -57.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 22' ' ' PHE . 13.9 tp -51.91 -43.59 63.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 25' ' ' SER . 96.1 t -56.74 -51.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -61.44 -26.55 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.628 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.8 t60 -78.98 -22.18 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -69.87 -1.18 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -113.79 7.26 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.5 m -85.91 -27.54 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.793 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.8 m-70 -78.97 -44.58 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.1 p -71.42 92.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.98 -162.68 36.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.98 173.26 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -145.13 143.41 20.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -161.77 126.0 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.42 103.75 2.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.8 t -102.59 111.89 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 m -112.93 -48.45 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.525 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.826 0.261 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -105.54 141.3 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -154.76 133.35 12.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -57.28 177.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -128.7 -29.61 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 11.6 m -75.76 -39.43 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.03 -29.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.76 22.5 23.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -67.38 173.33 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.64 141.12 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 1.1 m-85 -146.25 108.02 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.8 ptp180 -42.36 -26.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.7 m -108.91 163.48 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.4 t -89.57 -39.56 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 p -51.9 -59.39 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m170 -53.2 -56.97 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -44.25 -39.73 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' SER . 93.7 t -61.75 -57.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.76 -25.69 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -81.85 -25.35 35.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.22 -3.61 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -112.61 5.81 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.0 m -82.57 -33.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 34.0 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.79 0.246 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.76 142.88 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -158.81 129.29 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -55.47 174.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -125.42 -32.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG21 ' CD2' ' A' ' 35' ' ' HIS . 15.8 m -72.36 -43.2 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -109.48 -33.9 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.59 22.51 14.01 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 4.7 mmtp -68.1 174.95 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -149.58 143.53 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 1.2 m-85 -150.9 108.64 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -46.08 -21.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.7 m -110.76 157.14 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.966 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 t -85.74 -33.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -57.83 -61.16 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 17.4 m170 -52.06 -56.38 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.9 tp -46.32 -38.84 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 25' ' ' SER . 90.3 t -63.02 -60.11 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.28 -22.73 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -85.04 -23.54 28.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.52 -4.0 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -112.98 10.83 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG13 ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -88.85 -12.8 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 17' ' ' VAL . 38.6 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.807 0.253 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.46 144.0 33.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -155.93 134.71 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.67 176.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -128.31 -29.13 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 10.6 m -75.96 -41.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -112.69 -32.28 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.25 24.67 12.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 10.2 mmmt -71.21 178.1 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.71 137.99 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.6 m-85 -142.61 108.57 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -41.75 -23.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.9 m -107.36 160.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.1 t -85.13 -43.75 13.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' VAL . 10.5 t -53.25 -72.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.3 m170 -36.73 -53.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' NE2' ' A' ' 32' ' ' HIS . 8.2 tp -53.35 -39.17 63.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 25' ' ' SER . 88.4 t -61.1 -52.69 58.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.26 -26.2 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -80.09 -24.01 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.533 ' NE2' HD11 ' A' ' 28' ' ' LEU . 14.8 m-70 -68.51 -3.17 10.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -113.56 8.91 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -88.02 -24.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.784 0.243 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -88.16 139.18 30.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' CYS . 8.9 ttmt -155.69 134.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.39 172.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.06 -21.37 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.3 m -85.02 -40.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.6 -29.14 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.4 21.92 25.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtm -66.17 177.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.8 143.27 24.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -150.54 115.89 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -54.08 -20.81 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.7 m -114.3 149.69 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.0 t -70.34 -52.87 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' VAL . 13.8 t -43.48 -72.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CG ' ' CG2' ' A' ' 24' ' ' VAL . 54.0 m170 -35.46 -53.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.2 tp -56.6 -40.28 75.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' SER . 79.6 t -59.01 -51.41 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.36 -26.79 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -81.63 -20.46 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.18 -0.37 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.3 p -114.68 10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -85.9 -19.99 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.795 0.248 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -105.72 141.24 37.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -156.08 130.63 8.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -55.99 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -126.38 -26.89 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 12.3 m -79.5 -40.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -112.74 -30.54 7.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 25.68 17.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.5 mmmt -70.39 177.49 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.99 142.98 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 3.4 m-85 -150.4 108.91 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG3' HG13 ' A' ' 24' ' ' VAL . 18.7 ptt85 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 27' ' ' HIS . 5.1 m -112.81 156.69 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.1 t -79.51 -43.39 23.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.7 t -53.65 -71.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' HG21 ' A' ' 24' ' ' VAL . 43.5 m170 -37.04 -50.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 25' ' ' SER . 88.0 t -60.23 -58.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.14 -24.16 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -80.85 -24.09 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' NE2' HD11 ' A' ' 28' ' ' LEU . 17.8 m-70 -69.04 -3.66 13.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 p -111.43 6.51 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -84.63 -21.35 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 17' ' ' VAL . 39.1 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.817 0.257 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -105.8 143.47 33.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -154.16 135.83 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.65 178.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -129.19 -29.99 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.929 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.6 m -75.42 -40.85 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 22.0 p -114.04 -28.48 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.47 24.13 22.16 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 15.3 mmtm -69.8 176.62 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -152.17 138.29 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -141.47 110.41 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.13 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 13.8 m -111.87 166.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.746 ' O ' HG23 ' A' ' 29' ' ' VAL . 44.3 t -94.68 -40.27 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -51.73 -57.33 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.6 m170 -55.84 -60.11 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.2 tp -40.55 -38.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 25' ' ' SER . 89.8 t -63.03 -55.74 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -53.66 -21.64 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.516 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.4 t60 -86.84 -22.34 25.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -67.5 -3.23 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.5 m -112.3 10.16 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -87.52 -22.73 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.929 ' CD2' HG21 ' A' ' 17' ' ' VAL . 33.2 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.821 0.259 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -116.83 110.44 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -121.09 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.4 t -57.37 179.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -131.23 -31.34 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.943 HG21 ' CD2' ' A' ' 35' ' ' HIS . 20.2 m -72.75 -42.88 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.4 p -113.46 -33.07 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.77 10.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 21.8 mmtm -67.49 176.42 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.39 147.32 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 4.3 m-85 -152.54 125.89 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -27.36 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -109.21 165.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.811 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.8 t -85.04 -48.65 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.14 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -39.32 -57.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.5 tp -53.15 -40.68 64.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 25' ' ' SER . 86.7 t -61.08 -51.12 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -61.53 -29.41 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -75.84 -23.61 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.579 ' NE2' HD11 ' A' ' 28' ' ' LEU . 24.7 m-70 -68.46 -2.28 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -113.8 10.49 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.59 -33.9 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.943 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.0 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.813 0.255 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.404 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -107.44 112.2 24.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -123.14 135.89 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -58.09 174.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -126.31 -23.82 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 5.7 m -82.4 -40.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.01 -28.99 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.61 24.18 21.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -70.54 177.63 3.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.303 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.23 148.99 29.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -152.79 124.25 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -22.25 39.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.27 165.3 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.1 t -91.67 -40.52 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -52.53 -55.72 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -56.51 -57.74 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.9 tp -46.09 -35.57 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' SER . 71.2 t -65.89 -55.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.06 -24.19 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.1 t60 -84.53 -24.59 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -65.2 -5.13 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -110.93 11.06 22.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -89.99 -12.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 21.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.795 0.248 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -101.34 142.56 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -157.79 129.37 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.24 174.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -126.75 -26.62 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.5 m -79.78 -36.87 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -115.68 -32.05 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.42 25.46 13.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.3 mmmt -71.14 175.83 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.24 141.88 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.07 107.4 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.709 ' HG3' HG13 ' A' ' 24' ' ' VAL . 9.9 ptm180 -45.58 -21.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.1 m -113.29 158.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 t -80.31 -45.75 17.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.3 t -46.45 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 17.1 m170 -36.22 -54.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.7 tp -53.68 -38.66 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 25' ' ' SER . 98.0 t -61.93 -54.78 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.31 -27.06 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.685 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.3 t60 -80.56 -21.98 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -70.14 -1.25 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -114.54 7.81 16.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 m -83.73 -27.87 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' HG21 ' A' ' 17' ' ' VAL . 19.1 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.811 0.255 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.6 110.76 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 35.6 tttt -122.52 136.69 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.18 179.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -129.11 -29.43 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.893 HG21 ' CD2' ' A' ' 35' ' ' HIS . 27.0 m -76.92 -41.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 21.5 p -113.6 -28.72 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.73 24.22 21.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 6.8 mmmt -69.82 177.66 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.17 151.01 31.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.5 m-85 -154.91 121.33 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -54.54 -25.42 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.619 HG23 ' H ' ' A' ' 27' ' ' HIS . 10.5 m -107.98 166.5 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 1.005 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.3 t -96.14 -31.83 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 p -61.96 -43.01 99.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.619 ' H ' HG23 ' A' ' 24' ' ' VAL . 32.1 m170 -68.44 -55.71 10.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.9 tp -49.66 -28.51 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 25' ' ' SER . 84.3 t -69.89 -52.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.91 -24.85 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -81.35 -25.04 36.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 28' ' ' LEU . 11.1 m-70 -66.1 -4.18 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 m -112.03 12.67 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.06 -18.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.893 ' CD2' HG21 ' A' ' 17' ' ' VAL . 16.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.78 0.242 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.26 118.3 33.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -130.95 132.61 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.3 179.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -130.07 -29.24 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 6.3 m -77.41 -39.18 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -114.37 -31.31 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.48 26.98 12.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 5.5 mmtp -71.84 177.31 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.5 147.14 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 3.0 m-85 -153.88 117.91 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -31.0 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.41 165.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.992 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.5 t -90.56 -35.56 14.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 m -56.22 -61.99 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -48.87 -55.25 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD11 ' NE2' ' A' ' 32' ' ' HIS . 13.2 tp -50.41 -37.9 40.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 25' ' ' SER . 86.5 t -62.74 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.31 -26.0 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -80.19 -25.22 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' NE2' HD11 ' A' ' 28' ' ' LEU . 37.2 m-70 -68.21 -2.31 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.65 8.42 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 m -84.59 -27.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 12.3 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.807 0.253 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -113.11 109.17 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -118.97 138.01 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.14 179.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -129.39 -29.3 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.806 HG21 ' CD2' ' A' ' 35' ' ' HIS . 30.4 m -76.29 -42.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.5 p -112.99 -29.43 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.24 22.46 22.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.0 mmtm -67.22 176.3 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.5 147.44 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.2 m-85 -151.57 117.7 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -52.64 -20.25 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m -115.07 159.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 29' ' ' VAL . 37.6 t -82.73 -43.54 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -50.49 -61.33 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.9 m170 -48.82 -57.86 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 28' ' ' LEU . 7.8 tp -47.64 -39.54 17.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 25' ' ' SER . 87.5 t -62.89 -55.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -56.34 -23.39 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.592 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -82.63 -23.24 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' HD11 ' A' ' 28' ' ' LEU . 20.4 m-70 -69.23 -1.54 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -112.41 7.45 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -85.32 -32.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.806 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.779 0.241 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -117.51 111.5 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -122.83 134.67 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.75 179.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -129.48 -29.56 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.5 m -77.01 -42.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' VAL . 22.3 p -111.88 -29.23 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.34 24.12 19.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mmtt -68.65 175.42 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.89 147.67 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 4.5 m-85 -152.34 121.55 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.27 -20.47 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.44 162.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.9 t -82.17 -53.4 6.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -40.59 -72.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -53.17 -39.38 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' SER . 87.4 t -62.75 -52.14 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -60.37 -22.45 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 t60 -83.91 -21.92 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.85 -2.79 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -113.87 12.82 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.93 -18.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.851 ' CD2' HG21 ' A' ' 17' ' ' VAL . 28.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.788 0.245 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -97.96 149.03 22.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -160.85 133.03 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -61.11 171.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.75 -32.48 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.2 m -70.12 -40.37 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.92 -27.43 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.48 20.76 31.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.6 mmtt -62.29 -179.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -155.35 139.84 16.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -146.94 108.53 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 24' ' ' VAL . 3.7 ptp85 -45.1 -21.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.6 m -113.27 165.23 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 43.2 t -86.92 -56.39 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' SER . 63.4 p -37.72 -68.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 19.2 m170 -44.02 -58.74 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 28' ' ' LEU . 10.9 tp -44.42 -42.13 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.06 -55.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -52.73 -25.69 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.619 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.2 t60 -82.4 -26.19 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -65.46 -5.02 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -110.44 9.98 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -86.62 -29.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.868 ' CD2' HG21 ' A' ' 17' ' ' VAL . 32.0 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.792 0.246 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 1.4 m-30 -91.36 141.63 28.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -156.86 135.39 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -64.97 171.22 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -120.83 -33.34 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.8 m -69.7 -41.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.3 p -114.88 -27.86 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.51 21.91 30.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 13.5 mmmt -63.63 178.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.42 137.69 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 1.7 m-85 -145.15 111.61 5.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.5 ptt-85 -49.84 -21.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.4 m -112.46 152.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 t -76.92 -39.44 50.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -52.99 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 16.2 m170 -41.58 -55.1 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 32' ' ' HIS . 9.5 tp -49.29 -40.16 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 25' ' ' SER . 97.2 t -61.31 -55.1 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -55.84 -27.4 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.599 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.8 t60 -80.3 -26.29 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 28' ' ' LEU . 19.0 m-70 -64.92 -5.59 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.5 m -110.87 12.12 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -91.24 -15.39 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.743 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.784 0.243 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -94.45 134.43 36.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -150.06 126.85 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -54.71 169.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -119.38 -33.35 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.857 HG21 ' CD2' ' A' ' 35' ' ' HIS . 24.1 m -69.73 -42.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -113.29 -31.26 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.63 21.55 21.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.2 mmtt -64.14 179.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.15 139.46 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -147.87 106.87 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -19.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' HIS . 4.6 m -111.96 154.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.828 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.7 t -80.59 -41.2 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -52.8 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.0 m170 -48.34 -58.51 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.4 tp -44.95 -40.27 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 25' ' ' SER . 60.3 t -60.58 -56.74 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -52.95 -27.47 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.694 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.9 t60 -84.84 -23.49 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -110.27 7.61 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -82.73 -18.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.857 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.789 0.245 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.57 136.38 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 7.9 tttp -150.9 132.75 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -57.91 174.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -126.87 -26.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -78.0 -40.64 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -113.16 -33.37 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.7 21.81 11.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.3 mmtp -66.45 173.5 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.43 127.85 9.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -135.09 112.65 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -51.38 -16.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.7 m -112.25 161.34 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.6 t -85.5 -56.96 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -38.93 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' CG ' HG21 ' A' ' 24' ' ' VAL . 20.9 m170 -46.58 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.8 tp -39.65 -45.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' SER . 57.5 t -58.95 -56.16 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -55.06 -24.98 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.0 t60 -81.95 -23.62 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.473 ' NE2' HD11 ' A' ' 28' ' ' LEU . 22.3 m-70 -68.62 -3.08 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -111.79 0.79 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -77.75 -33.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.4 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.213 0 CA-C-O 120.78 0.242 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -95.4 134.97 37.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -149.57 130.19 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.61 178.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -128.74 -30.35 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.905 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -74.21 -38.95 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -117.77 -28.19 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.97 21.4 25.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.6 mmtt -64.64 172.77 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -147.09 139.76 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -147.27 108.89 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' HG13 ' A' ' 24' ' ' VAL . 5.5 ptt180 -48.13 -19.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG21 ' CG ' ' A' ' 27' ' ' HIS . 15.0 m -112.15 158.05 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.8 t -88.31 -36.53 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -55.49 -54.87 38.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.548 ' CG ' HG21 ' A' ' 24' ' ' VAL . 38.1 m170 -58.29 -59.7 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.8 tp -41.71 -35.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' SER . 96.9 t -64.35 -57.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.62 -24.6 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.5 t60 -84.63 -23.2 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -68.42 -2.36 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.4 p -111.2 4.0 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -78.71 -27.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.905 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.7 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.232 0.2 0 CA-C-O 120.78 0.242 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -101.23 137.46 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -151.82 131.45 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.09 176.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -126.95 -31.08 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG21 ' CD2' ' A' ' 35' ' ' HIS . 25.1 m -74.36 -39.58 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 30.7 p -115.97 -27.01 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.74 19.88 35.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -61.34 173.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.69 131.67 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 5.9 m-85 -139.97 109.34 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -43.27 -25.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.8 155.48 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.1 t -78.92 -43.06 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.8 t -50.51 -70.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -39.21 -53.6 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' NE2' ' A' ' 32' ' ' HIS . 14.2 tp -55.53 -36.79 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' SER . 91.4 t -63.89 -54.47 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -58.01 -25.52 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -80.85 -23.74 38.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' NE2' HD11 ' A' ' 28' ' ' LEU . 35.4 m-70 -68.53 -2.28 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -111.36 5.58 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.76 -26.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HG21 ' A' ' 17' ' ' VAL . 43.2 m-70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.786 0.244 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -92.02 142.63 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -156.41 132.97 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -59.0 178.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -129.26 -30.44 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.1 m -75.51 -43.97 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 17' ' ' VAL . 24.1 p -110.04 -30.54 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.69 24.05 16.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -66.14 -177.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.0 138.47 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -146.69 112.6 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 24' ' ' VAL . 8.3 ptt180 -50.14 -18.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.6 m -115.68 148.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 29' ' ' VAL . 40.2 t -70.74 -53.85 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 13.6 t -41.35 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' SER . 32.1 m170 -35.02 -57.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 22' ' ' PHE . 13.9 tp -51.91 -43.59 63.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 25' ' ' SER . 96.1 t -56.74 -51.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -61.44 -26.55 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.628 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.8 t60 -78.98 -22.18 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -69.87 -1.18 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -113.79 7.26 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.5 m -85.91 -27.54 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.793 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -146.31 140.13 26.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -148.66 146.42 28.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.49 -59.99 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -84.84 -42.65 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -85.71 121.86 28.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.15 99.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -66.94 -13.81 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.49 105.61 2.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -68.08 125.98 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 28.6 mttp -71.63 152.55 93.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -31.21 21.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -105.54 141.3 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -154.76 133.35 12.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -57.28 177.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -128.7 -29.61 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 11.6 m -75.76 -39.43 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.0 p -115.03 -29.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.76 22.5 23.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -67.38 173.33 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.64 141.12 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 20' ' ' LYS . 1.1 m-85 -146.25 108.02 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.8 ptp180 -42.36 -26.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.7 m -108.91 163.48 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.4 t -89.57 -39.56 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 p -51.9 -59.39 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m170 -53.2 -56.97 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 tp -44.25 -39.73 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 25' ' ' SER . 93.7 t -61.75 -57.9 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.76 -25.69 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.1 t60 -81.85 -25.35 35.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -67.22 -3.61 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -112.61 5.81 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 31' ' ' HIS . 5.0 m -82.57 -33.95 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 34.0 m-70 -73.44 -43.7 59.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 m -40.77 -49.24 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.78 74.82 2.46 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.53 119.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -102.19 151.59 38.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 91.26 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.6 m -161.68 175.38 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.16 -157.07 26.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -14.11 35.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.7 m -44.01 144.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -70.8 100.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.464 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -69.61 102.92 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.87 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -60.96 153.4 25.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.93 -171.65 41.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.1 p -73.17 171.06 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -150.98 163.59 38.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.5 90.42 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.1 t -73.87 -44.95 53.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.167 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 8' ' ' THR . . . -68.96 98.97 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.92 134.17 56.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -83.88 144.55 45.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.544 0.688 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -29.18 24.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -106.76 142.88 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -158.81 129.29 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -55.47 174.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -125.42 -32.59 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG21 ' CD2' ' A' ' 35' ' ' HIS . 15.8 m -72.36 -43.2 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -109.48 -33.9 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.59 22.51 14.01 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 4.7 mmtp -68.1 174.95 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -149.58 143.53 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 1.2 m-85 -150.9 108.64 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -46.08 -21.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.7 m -110.76 157.14 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.966 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 t -85.74 -33.04 21.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 p -57.83 -61.16 2.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 17.4 m170 -52.06 -56.38 14.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 22' ' ' PHE . 12.9 tp -46.32 -38.84 9.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 25' ' ' SER . 90.3 t -63.02 -60.11 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.28 -22.73 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -85.04 -23.54 28.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.52 -4.0 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 m -112.98 10.83 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG13 ' HA ' ' A' ' 31' ' ' HIS . 3.0 m -88.85 -12.8 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 17' ' ' VAL . 38.6 m-70 -95.01 -49.04 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -53.19 144.12 16.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.72 -96.53 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -171.27 122.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mmt-85 -58.99 139.65 87.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -5.39 16.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.9 p -49.5 168.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.1 65.42 3.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 146.63 61.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -43.48 111.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.0 m -109.29 120.17 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 p -172.68 170.27 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -118.62 134.56 55.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.6 -135.63 5.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m 58.32 43.77 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -112.49 42.4 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -158.51 -116.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 8' ' ' THR . 11.9 t 30.71 50.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.51 65.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' LYS . 1.9 pm0 -69.32 91.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 33.2 mttt -35.94 143.14 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -27.81 25.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.46 144.0 33.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -155.93 134.71 11.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.67 176.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -128.31 -29.13 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG21 ' CD2' ' A' ' 35' ' ' HIS . 10.6 m -75.96 -41.04 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -112.69 -32.28 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.25 24.67 12.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 10.2 mmmt -71.21 178.1 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.71 137.99 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.6 m-85 -142.61 108.57 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -41.75 -23.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.9 m -107.36 160.78 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.824 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.1 t -85.13 -43.75 13.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' VAL . 10.5 t -53.25 -72.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.557 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.3 m170 -36.73 -53.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' NE2' ' A' ' 32' ' ' HIS . 8.2 tp -53.35 -39.17 63.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 25' ' ' SER . 88.4 t -61.1 -52.69 58.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.26 -26.2 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.5 t60 -80.09 -24.01 40.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.533 ' NE2' HD11 ' A' ' 28' ' ' LEU . 14.8 m-70 -68.51 -3.17 10.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -113.56 8.91 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -88.02 -24.64 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 -80.95 -54.98 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -70.51 100.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.8 -131.22 6.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -125.24 160.81 28.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -150.81 153.08 33.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.78 1.91 4.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.1 t -34.71 127.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.67 167.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.11 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.628 2.218 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -139.61 176.86 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.9 p -91.23 41.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.446 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -113.25 159.31 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -136.2 118.81 15.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.62 43.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -124.7 114.64 19.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -164.06 162.62 23.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.12 78.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -83.73 42.68 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.41 141.52 5.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -85.26 121.09 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -62.56 150.19 86.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.59 0.71 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -42.99 2.92 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.636 2.224 . . . . 0.0 112.316 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -88.16 139.18 30.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' CYS . 8.9 ttmt -155.69 134.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -59.39 172.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.06 -21.37 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.3 m -85.02 -40.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -112.6 -29.14 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.4 21.92 25.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtm -66.17 177.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.8 143.27 24.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -150.54 115.89 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HG3' HG13 ' A' ' 24' ' ' VAL . 6.1 ptp180 -54.08 -20.81 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.555 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.7 m -114.3 149.69 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.0 t -70.34 -52.87 19.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' VAL . 13.8 t -43.48 -72.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.555 ' CG ' ' CG2' ' A' ' 24' ' ' VAL . 54.0 m170 -35.46 -53.96 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.2 tp -56.6 -40.28 75.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 25' ' ' SER . 79.6 t -59.01 -51.41 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -60.36 -26.79 66.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.1 t60 -81.63 -20.46 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -70.18 -0.37 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 75.3 p -114.68 10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -85.9 -19.99 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 -95.59 28.48 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -82.81 176.83 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.76 134.71 12.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -127.12 5.17 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -145.5 154.72 53.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.581 0.705 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 177.61 5.41 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 p 45.5 39.53 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.78 166.22 32.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.13 19.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -77.65 134.41 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.7 p -169.72 175.62 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.507 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -105.24 100.15 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -104.72 153.93 20.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.13 166.94 16.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -98.19 89.19 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -139.87 142.5 36.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.54 -176.66 20.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 9' ' ' GLY . 11.4 t -90.03 -41.66 11.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.784 0.326 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' HG23 ' A' ' 8' ' ' THR . . . 179.0 132.87 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.21 133.91 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -49.03 145.85 6.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.83 24.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -105.72 141.24 37.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -156.08 130.63 8.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -55.99 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -126.38 -26.89 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG21 ' CD2' ' A' ' 35' ' ' HIS . 12.3 m -79.5 -40.15 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -112.74 -30.54 7.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.78 25.68 17.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.5 mmmt -70.39 177.49 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.99 142.98 25.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 3.4 m-85 -150.4 108.91 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG3' HG13 ' A' ' 24' ' ' VAL . 18.7 ptt85 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 27' ' ' HIS . 5.1 m -112.81 156.69 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.1 t -79.51 -43.39 23.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.7 t -53.65 -71.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' HG21 ' A' ' 24' ' ' VAL . 43.5 m170 -37.04 -50.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.0 tp -56.62 -38.32 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 25' ' ' SER . 88.0 t -60.23 -58.98 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -54.14 -24.16 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 7.9 t60 -80.85 -24.09 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' NE2' HD11 ' A' ' 28' ' ' LEU . 17.8 m-70 -69.04 -3.66 13.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 p -111.43 6.51 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG13 ' HA ' ' A' ' 31' ' ' HIS . 2.8 m -84.63 -21.35 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 17' ' ' VAL . 39.1 m-70 -85.6 -41.1 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -39.25 -57.45 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.31 61.93 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -128.34 86.75 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -109.29 141.68 24.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -17.55 37.61 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.1 p -79.34 156.52 27.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -154.83 -151.12 5.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.87 8.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -104.9 -44.58 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -37.68 106.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.062 -0.854 . . . . 0.0 112.443 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -136.56 132.55 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -136.67 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.89 -43.5 1.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -54.36 100.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -102.82 169.05 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.95 132.72 2.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.0 t -81.93 -42.44 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.111 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 8' ' ' THR . . . -146.29 149.91 22.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 125.56 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 25.2 mttp -69.56 152.34 96.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.557 0.694 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -31.83 19.95 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -105.8 143.47 33.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -154.16 135.83 14.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.65 178.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 15' ' ' CYS . 44.5 mm-40 -129.19 -29.99 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.929 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.6 m -75.42 -40.85 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 22.0 p -114.04 -28.48 7.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.47 24.13 22.16 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' CG ' ' SG ' ' A' ' 18' ' ' CYS . 15.3 mmtm -69.8 176.62 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -152.17 138.29 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -141.47 110.41 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.13 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 13.8 m -111.87 166.68 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.746 ' O ' HG23 ' A' ' 29' ' ' VAL . 44.3 t -94.68 -40.27 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.2 p -51.73 -57.33 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 20.6 m170 -55.84 -60.11 3.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.2 tp -40.55 -38.32 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 25' ' ' SER . 89.8 t -63.03 -55.74 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -53.66 -21.64 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.516 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.4 t60 -86.84 -22.34 25.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -67.5 -3.23 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.5 m -112.3 10.16 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -87.52 -22.73 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.929 ' CD2' HG21 ' A' ' 17' ' ' VAL . 33.2 m-70 -87.41 -47.55 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.2 p -43.23 -44.33 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.38 -62.22 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -144.79 120.77 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.98 143.93 91.28 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -76.22 105.38 7.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 64.5 146.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 118.77 5.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -89.46 -46.94 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.4 m -135.5 172.46 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -79.86 147.3 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -95.39 165.89 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.43 123.8 2.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -98.29 167.05 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -146.02 113.81 6.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.69 63.77 0.28 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -74.82 -47.65 29.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.531 ' N ' HG23 ' A' ' 8' ' ' THR . . . -93.43 151.4 20.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -109.0 127.72 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' HD2' ' CA ' ' A' ' 23' ' ' ARG . 16.3 mmtp -51.58 152.8 4.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.01 29.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 0.0 112.357 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -116.83 110.44 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -121.09 135.69 55.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.4 t -57.37 179.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -131.23 -31.34 1.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.943 HG21 ' CD2' ' A' ' 35' ' ' HIS . 20.2 m -72.75 -42.88 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.4 p -113.46 -33.07 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.77 10.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 21.8 mmtm -67.49 176.42 2.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.39 147.32 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 4.3 m-85 -152.54 125.89 8.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -56.87 -27.36 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 m -109.21 165.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.811 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.8 t -85.04 -48.65 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.14 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -39.32 -57.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.5 tp -53.15 -40.68 64.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 25' ' ' SER . 86.7 t -61.08 -51.12 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -61.53 -29.41 69.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 8.2 t60 -75.84 -23.61 55.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.579 ' NE2' HD11 ' A' ' 28' ' ' LEU . 24.7 m-70 -68.46 -2.28 8.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 m -113.8 10.49 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.59 -33.9 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.943 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.0 m-70 -75.14 -55.52 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.9 t -82.41 41.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.18 -85.04 0.23 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -54.99 110.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -91.39 151.25 42.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.8 22.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.367 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.7 m -88.15 42.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.83 72.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.85 3.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 p 62.33 45.11 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -131.46 119.01 21.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.461 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -160.51 163.32 32.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 110.826 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -134.67 148.02 50.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.22 -87.36 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -106.52 172.44 6.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -76.77 147.53 37.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.57 176.32 48.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -90.84 -11.4 39.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 97.77 1.43 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.48 129.52 34.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 21.9 mmtp -126.26 152.57 73.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -30.73 21.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' HB2' HD22 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -107.44 112.2 24.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -123.14 135.89 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.8 t -58.09 174.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -126.31 -23.82 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 5.7 m -82.4 -40.3 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -114.01 -28.99 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.61 24.18 21.69 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -70.54 177.63 3.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.735 0.303 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -150.23 148.99 29.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.648 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -152.79 124.25 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -57.23 -22.25 39.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.27 165.3 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.1 t -91.67 -40.52 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -52.53 -55.72 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -56.51 -57.74 11.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 22' ' ' PHE . 11.9 tp -46.09 -35.57 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 25' ' ' SER . 71.2 t -65.89 -55.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.06 -24.19 23.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.1 t60 -84.53 -24.59 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -65.2 -5.13 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -110.93 11.06 22.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -89.99 -12.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 21.3 m-70 -100.21 27.25 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.4 p -93.46 -38.6 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.3 -104.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -133.71 144.76 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -119.95 146.23 41.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 166.19 28.5 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -61.81 96.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.22 161.66 21.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.89 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -159.83 133.57 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -156.29 110.76 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -114.87 137.13 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -144.13 170.87 15.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.26 110.96 3.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -58.21 -45.33 87.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -119.1 41.85 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.67 120.08 1.88 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -132.91 40.23 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 111.159 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.91 -177.87 24.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.2 129.53 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -80.51 144.47 57.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -32.85 17.74 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.351 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -101.34 142.56 32.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -157.79 129.37 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.24 174.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -126.75 -26.62 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG21 ' CD2' ' A' ' 35' ' ' HIS . 4.5 m -79.78 -36.87 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 p -115.68 -32.05 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.42 25.46 13.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.532 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.3 mmmt -71.14 175.83 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.24 141.88 25.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -149.07 107.4 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.709 ' HG3' HG13 ' A' ' 24' ' ' VAL . 9.9 ptm180 -45.58 -21.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HG3' ' A' ' 23' ' ' ARG . 3.1 m -113.29 158.4 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.7 t -80.31 -45.75 17.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' VAL . 11.3 t -46.45 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 17.1 m170 -36.22 -54.13 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.7 tp -53.68 -38.66 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 25' ' ' SER . 98.0 t -61.93 -54.78 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -58.31 -27.06 63.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.685 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.3 t60 -80.56 -21.98 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -70.14 -1.25 9.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -114.54 7.81 16.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 m -83.73 -27.87 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' HG21 ' A' ' 17' ' ' VAL . 19.1 m-70 -85.43 29.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -127.48 118.31 23.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.37 -88.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -89.97 130.2 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -77.88 137.91 61.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.25 13.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -109.34 144.7 37.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.27 152.66 9.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 102.49 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -85.71 42.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m 42.09 42.51 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -81.14 126.16 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -112.22 106.26 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.33 65.11 1.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -82.52 43.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.4 m -51.57 155.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.85 90.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 8' ' ' THR . 8.8 t -93.29 64.94 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 111.148 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.63 145.94 15.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -114.57 109.13 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -84.26 152.56 61.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.854 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.26 20.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.6 110.76 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 35.6 tttt -122.52 136.69 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.18 179.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -129.11 -29.43 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.893 HG21 ' CD2' ' A' ' 35' ' ' HIS . 27.0 m -76.92 -41.29 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 17' ' ' VAL . 21.5 p -113.6 -28.72 7.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.73 24.22 21.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 6.8 mmmt -69.82 177.66 2.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.17 151.01 31.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.5 m-85 -154.91 121.33 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 1.6 ptt180 -54.54 -25.42 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.619 HG23 ' H ' ' A' ' 27' ' ' HIS . 10.5 m -107.98 166.5 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 1.005 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.3 t -96.14 -31.83 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.6 p -61.96 -43.01 99.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.619 ' H ' HG23 ' A' ' 24' ' ' VAL . 32.1 m170 -68.44 -55.71 10.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.9 tp -49.66 -28.51 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 25' ' ' SER . 84.3 t -69.89 -52.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -59.91 -24.85 64.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -81.35 -25.04 36.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.447 ' CE1' HD11 ' A' ' 28' ' ' LEU . 11.1 m-70 -66.1 -4.18 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 m -112.03 12.67 20.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.06 -18.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.893 ' CD2' HG21 ' A' ' 17' ' ' VAL . 16.7 m-70 -95.71 -18.7 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.9 m -89.72 23.61 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.21 105.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -76.11 3.04 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -163.84 150.65 10.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.34 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.7 p -148.64 178.59 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.02 146.91 9.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.71 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' SER . 13.7 m -49.36 178.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' SER . 13.1 t -34.76 98.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 44' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.455 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -47.78 106.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -106.5 148.78 27.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.35 -56.28 6.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 p -166.36 148.33 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 p -82.28 136.21 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.65 123.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 9.6 t -74.11 -29.5 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.4 88.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.66 121.93 32.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 31.3 mmtm -64.78 149.43 96.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -40.21 5.59 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.26 118.3 33.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -130.95 132.61 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -55.3 179.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -130.07 -29.24 2.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 35' ' ' HIS . 6.3 m -77.41 -39.18 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -114.37 -31.31 6.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.48 26.98 12.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 5.5 mmtp -71.84 177.31 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -150.5 147.14 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 3.0 m-85 -153.88 117.91 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -31.0 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.41 165.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.992 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.5 t -90.56 -35.56 14.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 m -56.22 -61.99 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -48.87 -55.25 12.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD11 ' NE2' ' A' ' 32' ' ' HIS . 13.2 tp -50.41 -37.9 40.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 25' ' ' SER . 86.5 t -62.74 -58.16 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -54.31 -26.0 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 t60 -80.19 -25.22 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' NE2' HD11 ' A' ' 28' ' ' LEU . 37.2 m-70 -68.21 -2.31 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.65 8.42 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 m -84.59 -27.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 17' ' ' VAL . 12.3 m-70 -86.88 32.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.5 p -80.58 -44.34 19.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.19 -132.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -134.4 152.07 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 ttt180 -120.62 138.94 28.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.592 0.711 . . . . 0.0 110.861 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.4 Cg_endo -69.78 151.41 68.92 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 p -59.67 165.89 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.72 -169.73 12.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 177.08 5.95 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 61.01 44.04 10.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.2 p -44.87 -48.37 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.509 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -74.15 90.88 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -88.65 103.22 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.31 105.71 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.0 m -51.63 -57.68 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 5' ' ' SER . 50.8 p 36.09 43.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.92 61.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -57.86 -45.66 85.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.827 0.346 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 8' ' ' THR . . . -100.64 106.67 3.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.45 125.54 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -66.42 152.5 94.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -25.93 28.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -113.11 109.17 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -118.97 138.01 53.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.5 t -60.14 179.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -129.39 -29.3 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.806 HG21 ' CD2' ' A' ' 35' ' ' HIS . 30.4 m -76.29 -42.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' N ' HG23 ' A' ' 17' ' ' VAL . 29.5 p -112.99 -29.43 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.24 22.46 22.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.0 mmtm -67.22 176.3 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -148.5 147.44 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 1.2 m-85 -151.57 117.7 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -52.64 -20.25 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 4.3 m -115.07 159.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 29' ' ' VAL . 37.6 t -82.73 -43.54 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.4 p -50.49 -61.33 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 32.9 m170 -48.82 -57.86 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 28' ' ' LEU . 7.8 tp -47.64 -39.54 17.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 25' ' ' SER . 87.5 t -62.89 -55.32 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -56.34 -23.39 37.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.1 t60 -82.63 -23.24 34.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' HD11 ' A' ' 28' ' ' LEU . 20.4 m-70 -69.23 -1.54 8.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -112.41 7.45 19.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.3 m -85.32 -32.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.806 ' CD2' HG21 ' A' ' 17' ' ' VAL . 23.1 m-70 -75.56 -51.61 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -72.29 122.88 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -170.29 100.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' GLY . 39.1 mt-10 32.64 47.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -145.94 151.47 45.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.26 35.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -93.05 145.67 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.38 78.0 0.29 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -179.25 2.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.4 m -121.07 167.49 12.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.9 t -122.37 142.26 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.515 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 39.6 p -57.22 97.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 19.7 m -35.42 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -165.52 -73.11 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.459 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.2 t -35.91 150.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m 57.61 44.06 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.66 128.8 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -53.13 -39.7 63.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.42 172.66 31.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.02 131.97 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 24.1 mmtm -60.77 152.13 69.73 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.569 0.699 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -23.31 31.01 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -117.51 111.5 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -122.83 134.67 54.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.75 179.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -129.48 -29.56 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.851 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.5 m -77.01 -42.57 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' N ' HG23 ' A' ' 17' ' ' VAL . 22.3 p -111.88 -29.23 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.34 24.12 19.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mmtt -68.65 175.42 3.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.89 147.67 26.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 4.5 m-85 -152.34 121.55 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.27 -20.47 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.44 162.37 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.9 t -82.17 -53.4 6.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t -40.59 -72.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -38.44 -57.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -53.17 -39.38 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 25' ' ' SER . 87.4 t -62.75 -52.14 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -60.37 -22.45 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.64 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 t60 -83.91 -21.92 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -67.85 -2.79 7.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -113.87 12.82 18.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.8 m -87.93 -18.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.851 ' CD2' HG21 ' A' ' 17' ' ' VAL . 28.4 m-70 -92.8 -58.58 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.1 m -48.39 107.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.41 -75.87 0.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' ARG . 1.5 tp10 -115.5 150.27 36.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -37.77 132.45 0.87 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.78 36.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.301 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -83.13 84.44 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.06 -70.27 0.9 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -73.72 -50.43 20.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 t -80.16 97.3 6.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.511 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -171.66 154.65 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -55.94 -60.03 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.42 50.73 0.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -136.3 162.04 34.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -117.52 128.76 55.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.66 79.55 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -82.29 -4.12 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.124 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.42 160.95 1.37 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -97.99 133.04 43.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -68.43 144.11 96.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -35.6 12.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -97.96 149.03 22.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -160.85 133.03 5.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -61.11 171.94 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.75 -32.48 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.868 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.2 m -70.12 -40.37 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -116.92 -27.43 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.48 20.76 31.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.6 mmtt -62.29 -179.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -155.35 139.84 16.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -146.94 108.53 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.493 ' HG3' HG13 ' A' ' 24' ' ' VAL . 3.7 ptp85 -45.1 -21.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 23' ' ' ARG . 4.6 m -113.27 165.23 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' SER . 43.2 t -86.92 -56.39 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' SER . 63.4 p -37.72 -68.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 19.2 m170 -44.02 -58.74 2.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 28' ' ' LEU . 10.9 tp -44.42 -42.13 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -61.06 -55.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -52.73 -25.69 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.619 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.2 t60 -82.4 -26.19 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -65.46 -5.02 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -110.44 9.98 23.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.0 m -86.62 -29.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.868 ' CD2' HG21 ' A' ' 17' ' ' VAL . 32.0 m-70 -78.64 -57.75 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.5 p -68.13 77.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.61 -123.93 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -61.83 123.6 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 42.3 ttt85 -50.36 138.34 21.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.5 Cg_endo -69.72 164.99 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -60.65 179.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.37 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 174.79 9.05 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 t -48.29 143.6 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 m -69.09 145.33 53.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.468 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -117.96 177.11 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -38.37 132.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.75 -158.79 31.05 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -127.98 154.35 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -157.08 125.57 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.31 160.6 13.51 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.545 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 t -67.65 -4.75 12.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -122.04 35.03 3.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLY . 5.1 pt-20 -35.35 131.25 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -67.14 136.09 93.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 1.4 m-30 -91.36 141.63 28.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -156.86 135.39 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.3 t -64.97 171.22 3.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -120.83 -33.34 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 35' ' ' HIS . 29.8 m -69.7 -41.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.3 p -114.88 -27.86 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.51 21.91 30.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 13.5 mmmt -63.63 178.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.42 137.69 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.057 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 1.7 m-85 -145.15 111.61 5.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG3' HG13 ' A' ' 24' ' ' VAL . 2.5 ptt-85 -49.84 -21.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 27' ' ' HIS . 3.4 m -112.46 152.64 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 29' ' ' VAL . 23.9 t -76.92 -39.44 50.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -52.99 -69.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 24' ' ' VAL . 16.2 m170 -41.58 -55.1 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 32' ' ' HIS . 9.5 tp -49.29 -40.16 33.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 25' ' ' SER . 97.2 t -61.31 -55.1 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -55.84 -27.4 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.599 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.8 t60 -80.3 -26.29 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 28' ' ' LEU . 19.0 m-70 -64.92 -5.59 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.5 m -110.87 12.12 22.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -91.24 -15.39 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.743 ' CD2' HG21 ' A' ' 17' ' ' VAL . 37.1 m-70 -94.97 -48.31 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' HIS . 6.2 m 36.91 43.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . 104.41 -139.76 14.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' GLY . 9.4 pt-20 33.8 33.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 37' ' ' GLY . 3.7 ptm180 -85.15 143.54 39.75 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.593 0.711 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 154.47 67.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 m -112.31 32.77 5.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.77 64.35 4.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.9 Cg_endo -69.79 -2.55 10.38 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 43' ' ' PRO . 12.1 t -35.7 -50.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' GLY . 53.4 p -79.48 -54.67 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -145.62 135.79 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -143.65 176.19 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.85 159.53 29.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -98.47 113.84 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -92.26 133.83 35.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.97 -85.83 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 8' ' ' THR . 14.9 t 39.43 40.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 111.192 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.52 141.47 5.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -91.02 129.67 37.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -78.62 145.14 66.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -40.65 5.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -94.45 134.43 36.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -150.06 126.85 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -54.71 169.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -119.38 -33.35 4.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.857 HG21 ' CD2' ' A' ' 35' ' ' HIS . 24.1 m -69.73 -42.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' N ' HG23 ' A' ' 17' ' ' VAL . 31.0 p -113.29 -31.26 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.63 21.55 21.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 9.2 mmtt -64.14 179.55 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.757 0.313 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -151.15 139.46 20.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -147.87 106.87 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.82 -19.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 27' ' ' HIS . 4.6 m -111.96 154.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.828 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.7 t -80.59 -41.2 24.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.4 m -52.8 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CG ' HG21 ' A' ' 24' ' ' VAL . 33.0 m170 -48.34 -58.51 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.4 tp -44.95 -40.27 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 25' ' ' SER . 60.3 t -60.58 -56.74 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -52.95 -27.47 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.694 ' O ' HG13 ' A' ' 34' ' ' VAL . 7.9 t60 -84.84 -23.49 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -110.27 7.61 23.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.7 m -82.73 -18.99 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.857 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.2 m-70 -98.25 32.79 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -159.77 121.87 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.35 175.61 13.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -114.87 100.18 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -132.73 142.56 45.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.737 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.85 9.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m -75.48 -65.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 -107.08 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.92 69.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.31 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 m -116.26 96.28 5.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -39.95 114.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.512 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -42.86 -48.06 5.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -71.47 131.23 43.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.55 -54.59 0.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -64.38 113.84 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -118.44 43.45 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.33 86.81 0.54 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 t -56.32 -19.49 14.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.3 131.08 3.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.93 127.48 33.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -85.08 141.41 37.52 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.516 0.674 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -31.05 21.4 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -106.57 136.38 46.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 7.9 tttp -150.9 132.75 15.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.7 t -57.91 174.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -126.87 -26.59 3.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -78.0 -40.64 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -113.16 -33.37 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.7 21.81 11.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 7.3 mmtp -66.45 173.5 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.43 127.85 9.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -135.09 112.65 10.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -51.38 -16.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 27' ' ' HIS . 17.7 m -112.25 161.34 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.6 t -85.5 -56.96 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -38.93 -64.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' CG ' HG21 ' A' ' 24' ' ' VAL . 20.9 m170 -46.58 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD11 ' NE2' ' A' ' 32' ' ' HIS . 9.8 tp -39.65 -45.81 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 25' ' ' SER . 57.5 t -58.95 -56.16 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -55.06 -24.98 27.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.0 t60 -81.95 -23.62 36.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.473 ' NE2' HD11 ' A' ' 28' ' ' LEU . 22.3 m-70 -68.62 -3.08 10.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.8 t -111.79 0.79 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -77.75 -33.16 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.4 m-70 -74.43 -57.02 4.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.9 p -82.92 120.75 26.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.35 -100.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 4.5 mp0 -124.45 -2.61 7.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -41.11 149.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.597 0.713 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.09 14.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 m -43.02 166.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.09 74.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -44.89 1.84 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -165.65 162.26 18.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t 43.75 38.65 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.482 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -106.92 168.1 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -57.36 169.38 0.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.74 164.89 30.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -57.65 93.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -89.6 143.02 27.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.18 61.03 7.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' THR . 6.7 t -78.05 76.75 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.73 101.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -92.06 129.98 37.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -81.8 143.5 50.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.91 7.07 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -95.4 134.97 37.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -149.57 130.19 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -56.61 178.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -128.74 -30.35 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.905 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -74.21 -38.95 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -117.77 -28.19 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.97 21.4 25.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.6 mmtt -64.64 172.77 2.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -147.09 139.76 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -147.27 108.89 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' HG3' HG13 ' A' ' 24' ' ' VAL . 5.5 ptt180 -48.13 -19.36 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG21 ' CG ' ' A' ' 27' ' ' HIS . 15.0 m -112.15 158.05 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.918 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.8 t -88.31 -36.53 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -55.49 -54.87 38.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.548 ' CG ' HG21 ' A' ' 24' ' ' VAL . 38.1 m170 -58.29 -59.7 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.8 tp -41.71 -35.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 25' ' ' SER . 96.9 t -64.35 -57.61 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -52.62 -24.6 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 34' ' ' VAL . 9.5 t60 -84.63 -23.2 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -68.42 -2.36 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.4 p -111.2 4.0 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 31' ' ' HIS . 2.9 m -78.71 -27.27 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.905 ' CD2' HG21 ' A' ' 17' ' ' VAL . 17.7 m-70 -89.26 32.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -156.19 120.06 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.35 -44.03 0.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -98.25 176.32 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 39' ' ' ARG . 2.2 tmm_? -46.98 126.71 8.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.79 136.03 31.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.291 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.0 m -35.88 -48.49 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 123.08 149.08 7.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.46 30.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -113.64 -50.79 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m 41.43 42.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.499 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -107.2 107.26 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -104.08 42.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 65.06 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -117.86 42.16 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -70.66 153.6 42.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.89 -95.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 t 39.6 39.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.42 114.52 2.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -60.67 133.92 56.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG2' ' CA ' ' A' ' 23' ' ' ARG . 21.0 mttp -89.17 145.22 33.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -32.85 17.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -101.23 137.46 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -151.82 131.45 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' HG22 ' A' ' 17' ' ' VAL . 1.6 t -58.09 176.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -126.95 -31.08 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG21 ' CD2' ' A' ' 35' ' ' HIS . 25.1 m -74.36 -39.58 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 20' ' ' LYS . 30.7 p -115.97 -27.01 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.74 19.88 35.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -61.34 173.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.69 131.67 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CE1' ' HB3' ' A' ' 20' ' ' LYS . 5.9 m-85 -139.97 109.34 6.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . 7.0 ptm180 -43.27 -25.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.8 155.48 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 16.1 t -78.92 -43.06 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.8 t -50.51 -70.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -39.21 -53.6 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' NE2' ' A' ' 32' ' ' HIS . 14.2 tp -55.53 -36.79 67.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' SER . 91.4 t -63.89 -54.47 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -58.01 -25.52 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' O ' HG22 ' A' ' 34' ' ' VAL . 8.2 t60 -80.85 -23.74 38.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' NE2' HD11 ' A' ' 28' ' ' LEU . 35.4 m-70 -68.53 -2.28 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 t -111.36 5.58 19.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.2 m -85.76 -26.1 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.781 ' CD2' HG21 ' A' ' 17' ' ' VAL . 43.2 m-70 -80.24 -50.49 10.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -56.27 143.04 35.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.01 90.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.84 115.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.8 139.37 93.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.92 3.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.8 p -75.61 56.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.02 95.55 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 123.5 10.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.348 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -73.17 146.74 45.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -161.31 164.27 30.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.478 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -102.89 123.36 46.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -87.44 88.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.55 123.46 6.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -49.77 140.61 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -85.86 51.18 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.786 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.61 151.32 9.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -108.99 40.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.328 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.25 118.94 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -59.19 123.93 18.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -62.47 142.0 96.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -38.9 7.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -92.02 142.63 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -156.41 132.97 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -59.0 178.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -129.26 -30.44 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.793 HG21 ' CD2' ' A' ' 35' ' ' HIS . 31.1 m -75.51 -43.97 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' N ' HG23 ' A' ' 17' ' ' VAL . 24.1 p -110.04 -30.54 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.69 24.05 16.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 17.4 mmtm -66.14 -177.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.0 138.47 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -146.69 112.6 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 24' ' ' VAL . 8.3 ptt180 -50.14 -18.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 2.6 m -115.68 148.74 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 29' ' ' VAL . 40.2 t -70.74 -53.85 13.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' HIS . 13.6 t -41.35 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' SER . 32.1 m170 -35.02 -57.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 22' ' ' PHE . 13.9 tp -51.91 -43.59 63.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 25' ' ' SER . 96.1 t -56.74 -51.02 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -61.44 -26.55 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.628 ' O ' HG22 ' A' ' 34' ' ' VAL . 9.8 t60 -78.98 -22.18 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -69.87 -1.18 8.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 t -113.79 7.26 17.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.5 m -85.91 -27.54 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.793 ' CD2' HG21 ' A' ' 17' ' ' VAL . 36.8 m-70 -78.97 -44.58 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.1 p -71.42 92.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.98 -162.68 36.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -131.98 173.26 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -145.13 143.41 20.37 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.91 5.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -161.77 126.0 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.42 103.75 2.01 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 107.84 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.8 t -102.59 111.89 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.9 m -112.93 -48.45 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.525 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_